bluuebunny/crossref_metadata_2025 huggingface dataset:
A process for microbial hydrocarbon synthesis: Overproduction of fatty acids in Escherichia coli and catalytic conversion to alkanes
Authors: Lennen Rebecca M. , Braden Drew J. , West Ryan M. , Dumesic James A. , Pfleger Brian F.
Published: January 2010

The development of renewable alternatives to diesel and jet fuels is highly desirable for the heavy transportation sector, and would offer benefits over the production and use of short‐chain alcohols for personal transportation. Here, we report the development of a metabolically engineered strain of Escherichia coli that overproduces medium‐chain length fatty acids via three basic modifications: elimination of β‐oxidation, overexpression of the four subunits of acetyl‐CoA carboxylase, and expression of a plant acyl–acyl carrier protein (ACP) thioesterase from Umbellularia californica (BTE). The expression level of BTE was optimized by comparing fatty acid production from strains harboring BTE on plasmids with four different copy numbers. Expression of BTE from low copy number plasmids resulted in the highest fatty acid production. Up to a seven‐fold increase in total fatty acid production was observed in engineered strains over a negative control strain (lacking β‐oxidation), with a composition dominated by C12 and C14 saturated and unsaturated fatty acids. Next, a strategy for producing undecane via a combination of biotechnology and heterogeneous catalysis is demonstrated. Fatty acids were extracted from a culture of an overproducing strain into an alkane phase and fed to a Pd/C plug flow reactor, where the extracted fatty acids were decarboxylated into saturated alkanes. The result is an enriched alkane stream that can be recycled for continuous extractions. Complete conversion of C12 fatty acids extracted from culture to alkanes has been demonstrated yielding a concentration of 0.44 g L−1 (culture volume) undecane. Biotechnol. Bioeng. 2010;106: 193–202. © 2010 Wiley Periodicals, Inc.
Analysis of viral clearance unit operations for monoclonal antibodies
Authors: Miesegaes George , Lute Scott , Brorson Kurt
Published: January 2010

Demonstration of viral clearance is a critical step in assuring the safety of biotechnology products. We generated a viral clearance database that contains product information, unit operation process parameters, and viral clearance data from monoclonal antibody and antibody‐related regulatory submissions to FDA. Here we present a broad overview of the database and resulting analyses. We report that the diversity of model viruses tested expands as products transition to late‐phase. We also present averages and ranges of viral clearance results by Protein A and ion exchange chromatography steps, low pH chemical inactivation, and virus filtration, focusing on retro‐ and parvoviruses. For most unit operations, an average log reduction value (LRV, a measure of clearance power) for retrovirus of >4 log10 were measured. Cases where clearance data fell outside of the anticipated range (i.e., outliers) were rationally explained. Lastly, a historical analysis did not find evidence of any improvement trend in viral clearance over time. The data collectively suggest that many unit operations in general can reliably clear viruses. Biotechnol. Bioeng. 2010;106: 238–246. Published 2010 Wiley Periodicals, Inc.
Novel micro‐bioreactor high throughput technology for cell culture process development: Reproducibility and scalability assessment of fed‐batch CHO cultures
Authors: Amanullah Ashraf , Otero Jose Manuel , Mikola Mark , Hsu Amy , Zhang Jinyou , Aunins John , Schreyer H. Brett , Hope James A. , Russo A. Peter
Published: January 2010

With increasing timeline pressures to get therapeutic and vaccine candidates into the clinic, resource intensive approaches such as the use of shake flasks and bench‐top bioreactors may limit the design space for experimentation to yield highly productive processes. The need to conduct large numbers of experiments has resulted in the use of miniaturized high‐throughput (HT) technology for process development. One such high‐throughput system is the SimCell™ platform, a robotically driven, cell culture bioreactor system developed by BioProcessors Corp. This study describes the use of the SimCell™ micro‐bioreactor technology for fed‐batch cultivation of a GS‐CHO transfectant expressing a model IgG4 monoclonal antibody. Cultivations were conducted in gas‐permeable chambers based on a micro‐fluidic design, with six micro‐bioreactors (MBs) per micro‐bioreactor array (MBA). Online, non‐invasive measurement of total cell density, pH and dissolved oxygen (DO) was performed. One hundred fourteen parallel MBs (19 MBAs) were employed to examine process reproducibility and scalability at shake flask, 3‐ and 100‐L bioreactor scales. The results of the study demonstrate that the SimCell™ platform operated under fed‐batch conditions could support viable cell concentrations up to least 12 × 106 cells/mL. In addition, both intra‐MB (MB to MB) as well as intra‐MBA (MBA to MBA) culture performance was found to be highly reproducible. The intra‐MB and ‐MBA variability was calculated for each measurement as the coefficient of variation defined as CV (%) = (standard deviation/mean) × 100. The % CV values for most intra‐MB and intra‐MBA measurements were generally under 10% and the intra‐MBA values were slightly lower than those for intra‐MB. Cell growth, process parameters, metabolic and protein titer profiles were also compared to those from shake flask, bench‐top, and pilot scale bioreactor cultivations and found to be within ±20% of the historical averages. Biotechnol. Bioeng. 2010; 106: 57–67. © 2010 Wiley Periodicals, Inc.
The Witness Credibility Scale: An outcome measure for expert witness research
Authors: Brodsky Stanley L. , Griffin Michael P. , Cramer Robert J.
Published: January 2010

The judge or jury makes a subjective determination of when an expert is credible. However, no published measure exists for assessment of the credibility of expert witnesses. The current study addressed this gap by developing and cross‐validating the Witness Credibility Scale (WCS). Drawing on the narrative literature, we hypothesized that credibility was a product of four factors: “likeability,” “believability,” “trustworthiness,” and “intelligence.” A 41‐item measure was initially constructed based on successive iterations of ratings by a panel of judges using items from the Osgood Semantic Differential measure and was subsequently administered to 264 undergraduates. A factor analysis of the data yielded a factor structure that consisted of four factors labeled, “knowledge,” “likeability,” “trustworthiness,” and “confidence.” The final version of the WCS used 20 adjectives with four subscales of five items, each subscale reflecting high loadings on the respective factors. The scale was then tested in five additional studies, in which the scale successfully differentiated between groups of videotaped experts testifying in manipulated conditions. The empirical data from these studies permit a foundation for comparing outcome data in future research investigations. Copyright © 2010 John Wiley & Sons, Ltd.
Universal Features of the Electron Density Distribution in Hydrogen‐Bonding Regions: A Comprehensive Study Involving H⋅⋅⋅X (X=H, C, N, O, F, S, Cl, π) Interactions
Authors: Mata Ignasi , Alkorta Ibon , Molins Elies , Espinosa Enrique
Published: January 2010

Topological analyses of the theoretically calculated electron densities for a large set of 163 hydrogen‐bonded complexes show that H⋅⋅⋅X interactions can be classified in families according to X (X=atom or π orbital). Each family is characterised by a set of intrinsic dependencies between the topological and energetic properties of the electron density at the hydrogen‐bond critical point, as well as between each of them and the bonding distance. Comparing different atom‐acceptor families, these dependencies are classified as a function of the van der Waals radiusrXor the electronegativity χX, which can be explained in terms of the molecular orbitals involved in the interaction. According to this ordering, the increase of χXleads to a larger range of H⋅⋅⋅X distances for which the interaction is of pure closed‐shell type. Same dependencies observed for H⋅⋅⋅O interactions experimentally characterised by means of high‐resolution X‐ray diffraction data show a good agreement with those obtained from theoretical calculations, in spite of a larger dispersion of values around the expected fitting functions in the experimental case. Theoretical dependencies can thus be applied to the analysis of the experimental electron density for detecting either unconventional hydrogen bonds or problems in the modelling of the experimental electron density.
2,2‐Bis(ethoxycarbonyl)vinyl (BECV) as a Versatile Amine Protecting Group for Selective Functional‐Group Transformations
Authors: Ilangovan Andivelu , Kumar Rajendran Ganesh
Published: January 2010

A 2,2‐Bis(ethoxycarbonyl) vinyl‐ (BECV) group was used for the selective protection of amines at room temperature in the presence of potentially interfering functional groups such as OH, SH, COOH as well as other NH2 groups. Several functional group transformations such as esterification, O‐alkylation, O‐acylation, N‐alkylation, N‐acylation, S‐alkylation can selectively be carried out in the presence of the BECV group. The selective deprotection of the BECV group was achieved in a short time using ethylenediamine at room temperature while several other functional groups such as benzoate, aliphatic esters, amides and ethers remain intact. The BECV group shows orthogonal stability against the common protecting groups such as Fmoc, Cbz and Boc.
Gold(I)‐ and Yb(OTf)3‐Cocatalyzed Rearrangements of Epoxy Alkynes: Transfer of a Carbonyl Group in a Five‐Membered Carbocycle
Authors: Dai Lun‐Zhi , Shi Min
Published: January 2010

We report here the intramolecular reactions between α,β‐epoxy ketones and alkynes cocatalyzed by gold(I) and Yb(OTf)3. This new catalytic system based on a combination of gold(I) and Yb(OTf)3 allows facile transformation of epoxy alkynes to give novel indene derivatives in moderate to good yields under mild conditions. Moreover, we describe here the first observation of a transfer of a carbonyl group in a five‐membered carbocycle during gold‐catalyzed reactions. This proposed mechanism is corroborated by isotope‐labeling experiments (D and 13C). Furthermore, the probable role of each catalyst in this interesting domino reaction has been examined by 31P NMR experiments. The utilization of gold catalysts combined with rare‐earth metal salts offers a new concept for the design of catalyst combinations for domino or cascade reactions.
First‐Principles Prediction of Nucleophilicity Parameters for π Nucleophiles: Implications for Mechanistic Origin of Mayr’s Equation
Authors: Wang Chen , Fu Yao , Guo Qing‐Xiang , Liu Lei
Published: January 2010

Quantitative nucleophilicity scales are fundamental to organic chemistry and are usually constructed on the basis of Mayr’s equation [log k=s(N+E)] by using benzhydrylium ions as reference electrophiles. Here an ab initio protocol was developed for the first time to predict the nucleophilicity parameters N of various π nucleophiles in CH2Cl2 through transition‐state calculations. The optimized theoretical model (BH&HLYP/6‐311++G(3df,2p)//B3LYP/6‐311+G(d,p)/PCM/UAHF) could predict the N values of structurally unrelated π nucleophiles within a precision of ca. 1.14 units and therefore may find applications for the prediction of nucleophilicity of compounds that are not readily amenable to experimental characterization. The success in predicting N parameters from first principles also allowed us to analyze in depth the electrostatic, steric, and solvation energies involved in electrophile–nucleophile reactions. We found that solvation does not play an important role in the validity of Mayr’s equation. On the other hand, the correlations of the E, N, and log k values with the energies of the frontier molecular orbitals indicated that electrostatic/charge‐transfer interactions play vital roles in Mayr’s equation. Surprising correlations observed between the electrophile–nucleophile CC distances in the transition state, the activation energy barriers, and the E and N parameters indicate the importance of steric interactions in Mayr’s equation. A method is then proposed to separate the attraction and repulsion energies in the nucleophile–electrophile interaction. It was found that the attraction energy correlated with N+E, whereas the repulsion energy correlated to the s parameter.
Transition‐State Stabilization by a Secondary Substrate–Ligand Interaction: A New Design Principle for Highly Efficient Transition‐Metal Catalysis
Authors: Šmejkal Tomáš , Gribkov Denis , Geier Jens , Keller Manfred , Breit Bernhard
Published: January 2010

A library of monodentate phosphane ligands, each bearing a guanidine receptor unit for carboxylates, was designed. Screening of the library gave some excellent catalysts for regioselective hydroformylation of β,γ‐unsaturated carboxylic acids. A terminal alkene, but‐3‐enoic acid, was hydroformylated with a linear/branched (l/b) regioselectivity up to 41. An internal alkene, pent‐3‐enoic acid was hydroformylated with regioselectivity up to 18:1. Further substrate selectivity (e.g., acid vs. methyl ester) and reaction site selectivity (monofunctionalization of 2‐vinylhept‐2‐enoic acid) were also achieved. Exploration of the structure–activity relationship and a practical and theoretical mechanistic study gave us an insight into the nature of the supramolecular guanidinium–carboxylate interaction within the catalytic system. This allowed us to identify a selective transition‐state stabilization by a secondary substrate–ligand interaction as the basis for catalyst activity and selectivity.
Structures and Properties of Spherical 90‐Vertex Fullerene‐Like Nanoballs
Authors: Scheer Manfred , Schindler Andrea , Bai Junfeng , Johnson Brian P. , Merkle Roger , Winter Rainer , Virovets Alexander V. , Peresypkina Eugenia V. , Blatov Vladislav A. , Sierka Marek , Eckert Hellmut
Published: January 2010

By applying the proper stoichiometry of 1:2 to [CpRFe(η5‐P5)] and CuX (X=Cl, Br) and dilution conditions in mixtures of CH3CN and solvents like CH2Cl2, 1,2‐Cl2C6H4, toluene, and THF, nine spherical giant molecules having the simplified general formula [CpRFe(η5‐P5)]@[{CpRFe(η5‐P5)}12{CuX}25(CH3CN)10] (CpR=η5‐C5Me5 (Cp*); η5‐C5Me4Et (CpEt); X=Cl, Br) have been synthesized and structurally characterized. The products consist of 90‐vertex frameworks consisting of non‐carbon atoms and forming fullerene‐like structural motifs. Besides the mostly neutral products, some charged derivatives have been isolated. These spherical giant molecules show an outer diameter of 2.24 (X=Cl) to 2.26 nm (X=Br) and have inner cavities of 1.28 (X=Cl) and 1.20 nm (X=Br) in size. In most instances the inner voids of these nanoballs encapsulate one molecule of [Cp*Fe(η5‐P5)], which reveals preferred orientations of π–π stacking between the cyclo‐P5 rings of the guest and those of the host molecules. Moreover, π–π and σ–π interactions are also found in the packing motifs of the balls in the crystal lattice. Electrochemical investigations of these soluble molecules reveal one irreversible multi‐electron oxidation at Ep=0.615 V and two reduction steps (−1.10 and −2.0 V), the first of which corresponds to about 12 electrons. Density functional calculations reveal that during oxidation and reduction the electrons are withdrawn or added to the surface of the spherical nanomolecules, and no Cu2+ species are involved.
Diastereo‐ and Enantioselective Intramolecular [2+2] Photocycloaddition Reactions of 3‐(ω′‐Alkenyl)‐ and 3‐(ω′‐Alkenyloxy)‐Substituted 5,6‐Dihydro‐1H‐pyridin‐2‐ones
Authors: Albrecht Dominik , Vogt Florian , Bach Thorsten
Published: January 2010

3‐(ω′‐Alkenyl)‐substituted 5,6‐dihydro‐1H‐pyridin‐2‐ones 2–4 were prepared as photocycloaddition precursors either by cross‐coupling from 3‐iodo‐5,6‐dihydro‐1H‐pyridin‐2‐one (8) or—more favorably—from the corresponding α‐(ω′‐alkenyl)‐substituted δ‐valerolactams 9–11 by a selenylation/elimination sequence (56–62 % overall yield). 3‐(ω′‐Alkenyloxy)‐substituted 5,6‐dihydro‐1H‐pyridin‐2‐ones 5 and 6 were accessible in 43 and 37 % overall yield from 3‐diazopiperidin‐2‐one (15) by an α,α‐chloroselenylation reaction at the 3‐position followed by nucleophilic displacement of a chloride ion with an ω‐alkenolate and oxidative elimination of selenoxide. Upon irradiation at λ=254 nm, the precursor compounds underwent a clean intramolecular [2+2] photocycloaddition reaction. Substrates 2 and 5, tethered by a two‐atom chain, exclusively delivered the respective crossed products 19 and 20, and substrates 3, 5, and 6, tethered by longer chains, gave the straight products 21–23. The completely regio‐ and diastereoselective photocycloaddition reactions proceeded in 63–83 % yield. Irradiation in the presence of the chiral templates (−)‐1 and (+)‐31 at −75 °C in toluene rendered the reactions enantioselective with selectivities varying between 40 and 85 % ee. Truncated template rac‐31 was prepared as a noranalogue of the well‐established template 1 in eight steps and 56 % yield from the Kemp triacid (24). Subsequent resolution delivered the enantiomerically pure templates (−)‐31 and (+)‐31. The outcome of the reactions is compared to the results achieved with 4‐substituted 5,6‐dihydro‐1H‐pyridin‐2‐ones and quinolones.
(+)‐(R,Z)‐5‐Muscenone and (−)‐(R)‐Muscone by Enantioselective Aldol Reaction and Grob Fragmentation
Authors: Fehr Charles , Buzas Andrea K. , Knopff Oliver , de Saint Laumer Jean‐Yves
Published: January 2010

(+)‐(R,Z)‐5‐Muscenone ((R)‐1) was synthesized by an enantioselective aldol reaction, catalyzed by new ephedrine‐type Ti reagents (up to 70 % enantiomeric excess). Substrate‐directed diastereoselective reduction of the aldol product and Grob fragmentation of the tosylate of the resultant 1,3‐diol afforded (+)‐1. This approach also gave access to (−)‐(R,E)‐5‐muscenone and (−)‐(R)‐muscone.
Mapping the Transformation [{RuII(CO)3Cl2}2]→[RuI2(CO)4]2+: Implications in Binuclear Water–Gas Shift Chemistry
Authors: Majumdar Moumita , Sinha Arup , Ghatak Tapas , Patra Sanjib K. , Sadhukhan Nabanita , Rahaman S. M. Wahidur , Bera Jitendra K.
Published: January 2010

The complete sequence of reactions in the base‐promoted reduction of [{RuII(CO)3Cl2}2] to [RuI2(CO)4]2+ has been unraveled. Several μ‐OH, μ:κ2‐CO2H‐bridged diruthenium(II) complexes have been synthesized; they are the direct results of the nucleophilic activation of metal‐coordinated carbonyls by hydroxides. The isolated compounds are [Ru2(CO)4(μ:κ2‐C,O‐CO2H)2(μ‐OH)(NPF‐Am)2][PF6] (1; NPF‐Am=2‐amino‐5,7‐trifluoromethyl‐1,8‐naphthyridine) and [Ru2(CO)4(μ:κ2‐C,O‐CO2H)(μ‐OH)(NP‐Me2)2][BF4]2 (2), secured by the applications of naphthyridine derivatives. In the absence of any capping ligand, a tetranuclear complex [Ru4(CO)8(H2O)2(μ3‐OH)2(μ:κ2‐C,O‐CO2H)4][CF3SO3]2 (3) is isolated. The bridging hydroxido ligand in 1 is readily replaced by a π‐donor chlorido ligand, which results in [Ru2(CO)4(μ:κ2‐C,O‐CO2H)2(μ‐Cl)(NP‐PhOMe)2][BF4] (4). The production of [Ru2(CO)4]2+ has been attributed to the thermally induced decarboxylation of a bis(hydroxycarbonyl)–diruthenium(II) complex to a dihydrido–diruthenium(II) species, followed by dinuclear reductive elimination of molecular hydrogen with the concomitant formation of the RuIRuI single bond. This work was originally instituted to find a reliable synthetic protocol for the [Ru2(CO)4(CH3CN)6]2+ precursor. It is herein prescribed that at least four equivalents of base, complete removal of chlorido ligands by TlI salts, and heating at reflux in acetonitrile for a period of four hours are the conditions for the optimal conversion. Premature quenching of the reaction resulted in the isolation of a trinuclear RuI2RuII complex [{Ru(NP‐Am)2(CO)}{Ru2(NP‐Am)2(CO)2(μ‐CO)2}(μ3:κ3‐C,O,O′‐CO2)][BF4]2 (6). These unprecedented diruthenium compounds are the dinuclear congeners of the water–gas shift (WGS) intermediates. The possibility of a dinuclear pathway eliminates the inherent contradiction of pH demands in the WGS catalytic cycle in an alkaline medium. A cooperative binuclear elimination could be a viable route for hydrogen production in WGS chemistry.
Self‐Discriminating Self‐Assembly of Dinuclear Heterochiral Rhombs from Tröger’s Base Derived Bis(pyridyl) Ligands
Authors: Weilandt Torsten , Kiehne Ulf , Bunzen Jens , Schnakenburg Gregor , Lützen Arne
Published: January 2010

Five racemic dissymmetric bis(pyridyl) ligands based on 2,8‐ or 3,9‐difunctionalised Tröger’s base derivatives have been synthesised. Only those derived from a 2,8‐difunctionalised scaffold were found to undergo selective self‐assembly to discrete self‐assembled dinuclear metallosupramolecular aggregates of rhomboid shape upon coordination to cis‐protected Pd2+ or Pt2+ ions, as evidenced by ESI mass spectrometry, NMR spectroscopy and single‐crystal X‐ray diffraction. Interestingly, these processes were found to be highly diastereoselective leading to the formation of C2v‐symmetric heterochiral assemblies in a self‐discriminating manner.
Stable N‐Heterocyclic Carbene Adducts of Arylchlorosilylenes and Their Germanium Homologues
Authors: Filippou Alexander C. , Chernov Oleg , Blom Burgert , Stumpf Kai W. , Schnakenburg Gregor
Published: January 2010

The first N‐heterocyclic carbene adducts of arylchlorosilylenes are reported and compared with the homologous germanium compounds. The arylsilicon(II) chlorides SiArCl(Im‐Me4) [Ar=C6H3‐2,6‐Mes2 (Mes=C6H2‐2,4,6‐Me3), C6H3‐2,6‐Trip2 (Trip=C6H2‐2,4,6‐iPr3)] were obtained selectively on dehydrochlorination of the arylchlorosilanes SiArHCl2 with 1,3,4,5‐tetramethylimidazol‐2‐ylidene (Im‐Me4). The analogous arylgermanium(II) chlorides GeArCl(Im‐Me4) were prepared by metathetical exchange of GeCl2(Im‐Me4) with LiC6H3‐2,6‐Mes2 or addition of Im‐Me4 to GeCl(C6H3‐2,6‐Trip2). All compounds were fully characterized. Density functional calculations on ECl(C6H3‐2,6‐Trip2)(Im‐Me4), where E=Si, Ge, at different levels of theory show very good agreement between calculated and experimental bonding parameters, and NBO analyses reveal similar electronic structures of the two aryltetrel(II) chlorides. The low gas‐phase Gibbs free energy of bond dissociation of SiCl(C6H3‐2,6‐Trip2)(Im‐Me4) (Δ${G{{{\circ}\hfill \atop {\rm calcd}\hfill}}}$=28.1 kJ mol−1) suggests that the carbene adducts SiArCl(Im‐Me4) may be valuable transfer reagents of the arylsilicon(II) chlorides SiArCl.
Changes in colour appearance of a large display in various surround ambient conditions
Authors: Choi Seo Young , Luo Ming Ronnier , Pointer Michael R. , Li Changjun , Rhodes Peter A.
Published: January 2010

This article focuses on the change in colour appearance of a large display arising from various illumination conditions. Nine experimental phases were conducted according to different surround conditions including dark, indoor, and outdoor conditions. Each of the presented test colours was assessed by 10 observers using a magnitude estimation method. The surrounds used in all phases were divided into two groups: excluding and including veiling glare. Additionally, the effect due to different sizes of both stimuli and surround was investigated. Diverse visual effects were examined and reported. Finally, the visual colour appearance data were used to test the CIECAM02 colour appearance model. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2010
Influences of psychological factors on image color preferences evaluation
Authors: Shing‐Sheng Guan , Po‐Sung Hung
Published: January 2010

To bring substantial benefits of image designing for image designers and image processing professionals, this study focused on the image samples taken by digital cameras and tried to explore the influence of psychological factors on image color preference. First, we collected 310 questionnaires to investigate the types of image that interest the people in Taiwan. The images that Taiwanese prefer were categorized into seven types: People, Scenery, Artificial Environment, Plants, Animals, Still Life, and Food. Then, based on the results of this survey, total 81 images were collected. Next, six psychological factors (Color Memory, Color Comfort, Colorfulness, Color Harmony, Color Image, Concerned Area) on image color preference were identified by the Delphi method and literature review and then developed into another survey. A total of 150 people, as subjects, took this survey and gave their evaluation according to their image color preferences. Finally, using multiple regression statistics, this study discussed the relationship between psychological factors and image color preferences. This study discovered that each psychological factor plays a different role in different image categories. For instance, Color Comfort plays the most influential role in the Scenery image. Color Harmony is influential in the Food and Plants image. Concerned Area, likewise, is important in the image categories of People, Artificial Environment, and Still Life. Based on the results of this research, it is suggested to take psychological factors into consideration when dealing with different image categories in obtaining the best color performance of images. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2010
A novel method for determination of compatibility of dyes by means of principal component analysis
Authors: Khalili Haleh , Amirshahi Seyed Hossein
Published: January 2010

A novel method for determination of the compatibility of dyes in mixtures based on the application of principal component analysis is presented. The well known dip‐test method is used to dye samples in different binary combinations of cationic dyestuffs. The spectral reflectance of different samples of each mixture that dyed with a given set of dyestuffs by dip‐test method has been measured and the corresponding K/S values are calculated. The actual dimensional properties of each mixture are evaluated by using principal component analysis technique and determination of cumulative percentage variance of the eigenvalues of proposed datasets. Ideally, the K/S spectral data of fully compatible pairs scatter around one dimension, while proportional to the degree of incompatibility of dyes in the mixture, other dimensions should be taken into account and cannot be ignored. Strong correlations are found between the calculated percentage variance and the traditional compatibility values of dyes shown by K value for cationic dyestuffs. The validity of suggested technique is also reconfirmed by normalization of spectral K/S data obtained from different dye sets. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2010
Exclusively Heteronuclear NMR Experiments to Obtain Structural and Dynamic Information on Proteins
Authors: Bermel Wolfgang , Bertini Ivano , Felli Isabella C. , Peruzzini Riccardo , Pierattelli Roberta
Published: January 2010

Provided that 13C‐detected NMR experiments are either preferable or complementary to 1H detection, we report here tools to determine CαC′, C′N, and CαHα residual dipolar couplings on the basis of the CON experiment. The coupling constants determined on ubiquitin are consistent with the subset measured with the 1H‐detected HNCO sequences. Since the utilization of residual dipolar couplings may depend on the mobility of the involved nuclei, we also provide tools to measure longitudinal and transverse relaxation rates of N and C′. This new set of experiments is a further development of a whole strategy based on 13C direct‐detection NMR spectroscopy for the study of biological macromolecules.
Increased Left Ventricular Mass in Chronic Kidney Disease and End‐Stage Renal Disease: What Are the Implications?
Authors: Glassock Richard J. , Pecoits‐Filho Roberto , Barbareto Silvio
Published: January 2010

Recently, new attention has been focused on an increase in left ventricular mass and the attendant cardiac fibrosis as possible substrates for the excess cardiovascular morbidity and mortality seen so frequently in patients with chronic kidney disease and end‐stage renal disease. We provide a summary of the strength of the connection between left ventricular hypertrophy and morbidity and mortality in these patients, examine possible biological mechanisms, and suggest new approaches to its management.
Progression of Coronary Artery Calcification Using a Multidetector CT on Hemodialysis Patients in One Year
Authors: Caro Pilar , Hernandez Raul , Delgado Ramon
Published: January 2010

BACKGROUND

Vascular calcification is increasingly appreciated as an important risk factor for cardiovascular morbidity and mortality.

AIMS

To assess (1) the evolution of coronary calcification and (2) the relationship of the progression of coronary calcification with risk factors and adverse cardiovascular events.

METHODS

We performed repeated 16 row multidetector computed tomography (CT) with an interval of 1 year on 33 patients on chronic hemodialysis.

RESULTS

Progression of coronary artery calcification was found in 70% of patients with a mean significant difference of calcium score. Patients older than 65 years demonstrated a higher progression of coronary calcification and patients who received non‐calcium phosphate binder treatments demonstrated less progression. During the year, 6 adverse cardiovascular events occurred. A total of 22% of patients with progression of coronary calcification had a cardiovascular event (p = .003). Factors associated with adverse cardiovascular events included diabetes, male gender, history of cerebrovascular and coronary disease, secondary hyperparathyroidism, hyperphosphatemia, and calcification of circumflex and right coronary arteries.

CONCLUSIONS

Coronary artery calcification progression is common, represents a risk factor to adverse cardiovascular events, and is associated with modifiable risk factors in chronic hemodialysis. Multidetector CT seems to be an effective and readily applicable method to assess and quantify the progression of coronary artery calcification.
Brain phenotypes in two FGFR2 mouse models for Apert syndrome
Authors: Aldridge Kristina , Hill Cheryl A. , Austin Jordan R. , Percival Christopher , Martinez‐Abadias Neus , Neuberger Thomas , Wang Yingli , Jabs Ethylin Wang , Richtsmeier Joan T.
Published: January 2010

Apert syndrome (AS) is one of at least nine disorders considered members of the fibroblast growth factor receptor (FGFR) ‐1, ‐2, and ‐3–related craniosynostosis syndromes. Nearly 100% of individuals diagnosed with AS carry one of two neighboring mutations on Fgfr2. The cranial phenotype associated with these two mutations includes coronal suture synostosis, either unilateral (unicoronal synostosis) or bilateral (bicoronal synostosis). Brain dysmorphology associated with AS is thought to be secondary to cranial vault or base alterations, but the variation in brain phenotypes within Apert syndrome is unexplained. Here, we present novel three‐dimensional data on brain phenotypes of inbred mice at postnatal day 0 each carrying one of the two Fgfr2 mutations associated with AS. Our data suggest that the brain is primarily affected, rather than secondarily responding to skull dysmorphogenesis. Our hypothesis is that the skull and brain are both primarily affected in craniosynostosis and that shared phenogenetic developmental processes affect both tissues in craniosynostosis of Apert syndrome. Developmental Dynamics 239:987–997, 2010. © 2010 Wiley‐Liss, Inc.
Synthesis and Photoisomerization of Azocalixarenes with Dendritic Structures
Authors: Galán Hitos , Hennrich Gunther , de Mendoza Javier , Prados Pilar
Published: January 2010

The synthesis of dendricalixarenes 1 and 2 containing azo groups at the upper rim of a calix[4]‐ or calix[6]arene and the corresponding model compounds 3–5 are described. Because the kinetics of the trans to cis isomerization were too fast for accurate determination of the rate constant, this parameter was obtained from the reverse cis to trans process, which was studied in two different solvents by either a photoinduced or a thermal process. On the basis of the UV/Vis absorption measurements, the global rate constants (k) for calixarenes 1b, 1c, and 2b, obtained for the two different mechanisms (photoinduced and thermal processes), are of the same order of magnitude as that for models 3b and 4b. Compound 5b with an expanded cavity recognizes N‐methylpyridinium guests. The 1:1 stoichiometry for the complex of 4‐(4‐dimethylaminostyryl)‐N‐methylpyridinium iodide (DASPMI) with 5b was confirmed by Job plot analysis. Fluorescence spectroscopic titrations gave Ka = 3.76 × 105 M–1. As expected, receptors 1b, 1c, and 2b (with the azo groups in the trans configuration) did not lead to complexation of any of the substrates. Similarly, conversion into the respective cis isomers caused structural changes that were too large to allow efficient complexation.
A new BVM based approach to transient security assessment
Authors: Mohammadi M. , Gharehpetian G. B. , Raoofat M.
Published: January 2010

Machine Learning techniques have been extensively used in Power Systems Analysis during the last years. This paper describes a ball vector machine based algorithm for on‐line transient security assessment of large‐scale power systems. The proposed ball vector machine based security assessment reduces the training time and space complexities in comparison with support vector machines, artificial neural networks, and other machine learning based algorithms. In addition, the proposed algorithm has less support vectors and therefore is faster than existing algorithms for on‐line applications. A new decision tree based feature selection technique has been presented, too. The proposed ball vector machine based algorithm has been applied to New England 39‐bus test system. The simulation results show the effectiveness of the proposed algorithm for on‐line transient security assessment procedure. Copyright © 2010 John Wiley & Sons, Ltd.
Improvement of stability in moving particle semi‐implicit method
Authors: Kondo Masahiro , Koshizuka Seiichi
Published: January 2010

Moving particle semi‐implicit (MPS) method is one of the particle methods, which can be used to analyze incompressible free surface flow without surface tracking by a mesh or a scalar quantity. However, MPS causes unphysical numerical oscillation of pressure with high frequencies. We proposed a new formulation for the source term of Poisson equation of pressure. The proposed source term consists of three parts, one main part and two error‐compensating parts. With proper selection of the coefficients for the error‐compensating parts, we can suppress the unphysical pressure oscillation. Smoother pressure distributions are obtained in hydrostatic pressure and dam break problems. Copyright © 2010 John Wiley & Sons, Ltd.
Cures for numerical shock instability in HLLC solver
Authors: Huang Kuibang , Wu Hao , Yu Heng , Yan Dong
Published: January 2010

In this paper, we proposed two methods to cure the numerical shock instability for HLLC Riemann solver in two‐dimension finite volume Euler codes. One method (Ren Yu‐Xin, Computers and Fluids 2003; 32:1379–1403) uses the rotated method and another one (Hao Wu et al., submitted) is the hybrid method. Taking into account the efficiency, accuracy and robustness, the hybrid method is better than rotated method for HLLC solver. A series of test problems prove this conclusion. Copyright © 2010 John Wiley & Sons, Ltd.
AC‐Impedance Investigation of Different MEA Configurations for Passive‐Mode DMFC Mini‐Stack Applications
Authors: Baglio V. , Stassi A. , Matera F. V. , Kim H. , Antonucci V. , Aricò A. S.
Published: January 2010

Membrane‐electrode assemblies (MEAs) characterised by different hydrophobic–hydrophilic properties were investigated in a passive Direct methanol fuel cell (DMFC) monopolar mini‐stack at room temperature. These properties were modulated by varying the amount of Nafion or replacing the ionomer in the catalytic layer with polytetrafluoroethylene (PTFE). Impedance spectroscopy provided valuable information with respect to the limiting processes occurring during fuel cell operation. Methanol crossover, especially in the presence of high methanol concentration, played a major role in determining the overall performance. The development of a methanol impermeable membrane appears crucial for increasing the performance of DMFC devices for portable applications.
One‐Step Preparation of Pt on Pretreated Multiwalled Carbon Nanotubes for Methanol Electrooxidation
Authors: Wu J. , Hu F. , Shen P. K. , Li C. M. , Wei Z.
Published: January 2010

For the first time, intermittent microwave heating (IMH) is a one‐step technique applied to pretreat the multiwalled carbon nanotubes (MWCNTs) in H2O2 solution. The approach does not require washing and filtration of the sample, thus significantly reducing the loss of the material and treatment time. The IMH associated with H2O2 treatment, is optimised to fabricate efficient support for Pt electrocatalyst. Both as‐received and treated MWCNTs are used as Pt electrocatalyst supports, respectively. It demonstrates that the treated MWCNTs supported Pt has much better electrocatalytic performance than that of untreated MWCNTs supported Pt. The Pt on MWCNTs treated with an IMH irradiation mode in 10 s on and 20 s off for 5 times, shows the best performance for methanol oxidation. This work provides a novel approach to simply and economically fabricate an efficient MWCNT support at a large scale, for high performance Pt electrocatalysts.
The physical environment influences neuropsychiatric symptoms and other outcomes in assisted living residents
Authors: Bicket Mark C. , Samus Quincy M. , McNabney Mathew , Onyike Chiadi U. , Mayer Lawrence S. , Brandt Jason , Rabins Peter , Lyketsos Constantine , Rosenblatt Adam
Published: January 2010

Objective

Although the number of elderly residents living in assisted living (AL) facilities is rising, few studies have examined the AL physical environment and its impact on resident well‐being. We sought to quantify the relationship of AL physical environment with resident outcomes including neuropsychiatric symptoms (NPS), quality of life (QOL), and fall risk, and to compare the effects for demented and non‐demented residents.

Methods

Prospective cohort study of a stratified random sample of 326 AL residents living in 21 AL facilities. Measures included the Therapeutic Environmental Screening Scale for Nursing Homes and Residential Care (TESS‐NH/RC) to rate facilities and in‐person assessment of residents for diagnosis (and assessment of treatment) of dementia, ratings on standardized clinical, cognitive, and QOL measures. Regression models compared environmental measures with outcomes. TESS‐NH/RC is modified into a scale for rating the AL physical environment AL‐EQS.

Results

The AL Environmental Quality Score (AL‐EQS) was strongly negatively associated with Neuropsychiatric Inventory (NPI) total score (p < 0.001), positively associated with Alzheimer Disease Related Quality of Life (ADRQL) score (p = 0.010), and negatively correlated with fall risk (p = 0.042). Factor analysis revealed an excellent two‐factor solution, Dignity and Sensory. Both were strongly associated with NPI and associated with ADRQL.

Conclusion

The physical environment of AL facilities likely affects NPS and QOL in AL residents, and the effect may be stronger for residents without dementia than for residents with dementia. Environmental manipulations that increase resident privacy, as well as implementing call buttons and telephones, may improve resident well‐being. Copyright © 2010 John Wiley & Sons, Ltd.
An overview of the field and modelling studies on the effects of forest devastation on flooding and environmental issues
Authors: Onda Yuichi , Gomi Takashi , Mizugaki Shigeru , Nonoda Toshiro , Sidle Roy C.
Published: January 2010

Intensive field observations as well as monitoring of discharge, water quality, and soil erosion have been conducted in forest plantations in order to identify the effects of forest cover and management practices on runoff generation, sediment transport, and downstream environmental issues. Five experimental catchments, each with rather uniform lithology, were established in both managed and unmanaged plantations of Japanese cypress and cedar, as well as broadleaf forests. Field monitoring was conducted from sub‐plots (e.g. splash cups) to small hillslope plots (0·5 × 2 m) to large hillslope‐scale plots to first order streams (0·1–4 ha) and finally to larger catchments (>4 ha) in a nested structure. Remote sensing techniques were employed to identify broad scale forest stand and soil surface conditions. As part of this integrated study, these field‐based monitoring and remote sensing techniques provide information for modelling runoff generation and developing adaptive management schemes with respect to catchment‐scale water resources. Copyright © 2010 John Wiley & Sons, Ltd.
Variability of surface runoff generation and infiltration rate under a tree canopy: indoor rainfall experiment using Japanese cypress (Chamaecyparis obtusa)
Authors: Nanko Kazuki , Onda Yuichi , Ito Akane , Ito Shun , Mizugaki Shigeru , Moriwaki Hiromu
Published: January 2010

To estimate the variability of surface runoff generation and the infiltration rate on a bare surface in a forested area, indoor experiments were conducted using 13 runoff boxes and a single transplanted Japanese cypress tree (9·8 m in height) in a large‐scale rainfall simulator with spray nozzles (at a height of 16 m). The surface runoff was measured for applied rainfall and for 12 kinds of throughfall with different intensities and kinetic energy (KE) (found among measuring points and canopy structures). While no surface runoff was observed for the applied rainfall, surface runoff was observed for throughfall in each runoff box. Compared with the applied rainfall, the throughfall had larger drops due to canopy drip generation and thus had higher kinetic energy, which decreased the infiltration capacity. The maximum stable infiltration rate (IRMAX) was lowest for throughfall (44·2 mm h−1). Surface runoff generation and infiltration rates varied greatly under the canopy, even though the rainfall applications were identical and the runoff boxes had identical initial soil properties. The variability of IRMAX, ranging from 44·2 to 120·2 mm h−1, was caused by the variability of the throughfall intensity and kinetic energy. The index showing the best correlation to IRMAX was the effective unit kinetic energy (KE0 mm: J m−2 mm−1). The prediction of surface runoff generation in a forested area requires estimations of the spatial variations of the amount and kinetic energy of throughfall. Copyright © 2010 John Wiley & Sons, Ltd.
The effect of slope angle on splash detachment in an unmanaged Japanese cypress plantation forest
Authors: Mizugaki Shigeru , Nanko Kazuki , Onda Yuichi
Published: January 2010

A field investigation of the effects of rainfall and slope angle on splash detachment was conducted for 5 months, using 27 splash cups in a Japanese cypress plantation in southern Japan. The unit, kinetic energy of throughfall (J m−2 mm−1), was found to be constant and independent of rainfall intensity, indicating that splash detachment can be related to both throughfall intensity and soil slope. The linear correlation coefficient was highly significant for both the maximum throughfall intensity over 1 h (RI1h) and the average splash detachment of all splash cups, although individual cups varied widely. No consistent relationship was found between the splash detachment rate and slope angle for individual periods. This variation in the relationship between splash detachment and slope angle was attributed to the effect of soil crusting and ponding on splash detachment. Splash detachment on a gentler slope (14° ) exhibited a strong relationship with the maximum throughfall intensity lasting for short periods of 10–30 min. In contrast, the splash detachment from slopes > 35° highly correlated with the maximum throughfall intensity over 3 h. This suggests that a longer period is required to prevent the splash detachment due to ponded water on steeper slopes. On gentler slopes, prolonged rainfall may result in a higher ponding depth, thereby reducing raindrop impact and causing less splash detachment. Thus, under forest canopies, the effect of slope angle on the rainfall parameter should be incorporated into future splash erosion models. Copyright © 2010 John Wiley & Sons, Ltd.
Detecting forest degradation in Kochi, Japan: ground‐based measurements versus satellite (Terra/ASTER) remote sensing
Authors: Matsushita Bunkei , Xu Ming , Onda Yuichi , Otsuki Yuna , Toyota Mai
Published: January 2010

Forest degradation, due mainly to poor management, is of increasing concern in Japan. Major ecosystem functions, such as biodiversity, productivity, and soil and water retention, are being lost or weakened in Japan's forests, especially in Japanese cypress (Hinoki; Chamaecyparis Obtusa Sieb.) plantations. Detecting forest degradation is critical to the restoration of the ecosystem in the Kochi area, but ground‐based detection methods are labour intensive and difficult to implement in mountainous areas. In this study we examined the ecological characteristics (e.g. soil water content (SWC) and leaf water content) of degraded and healthy forests, based on in situ measurements and controlled experiments, and present a new method for mapping forest degradation based on remote sensing techniques. A field survey was carried out to record the locations and conditions of the degraded Japanese cypress plantations. Empirical relationships among the degraded plantation, SWC, fuel moisture content (FMC), and vegetation indices (VIs) were investigated by field survey and control experiments. We found that the SWC of the degraded Japanese cypress plantations was lower than that of the well‐managed Japanese cypress plantations. We also found that the SWC, FMC, and VI are highly correlated (R > 0·80). In addition to the ground investigation, we used the advanced spaceborne thermal emission and reflection radiometer (ASTER) data and compared a number of VIs to determine their relationships to the biophysical/biochemical attributes of vegetation canopies. Our results showed that the ASTER thermal band was the most effective method used to detect degraded Japanese cypress plantations in the study area. Copyright © 2010 John Wiley & Sons, Ltd.
Examination of the water budget in upstream and midstream regions of the Yellow River, China
Authors: Ma Xieyao , Fukushima Yoshihiro , Yasunari Tetsuzo , Matsuoka Masayuki , Sato Yoshinobu , Kimura Fujio , Zheng Hongxing
Published: January 2010

The Yellow River, the main source of water for the North and Northwest China, showed a marked decrease in runoff during the 1990s compared to that in the 1980s. Since the basin is extensive, covering many different climatic zones with various land uses, the hydrological processes are very complex. It is necessary to develop and verify a detailed water budget in order to understand changes in the hydrological processes within the basin. In this paper, we describe a hydrological model that considers five categories of land use. The calibration and verification of the model were carried out at two independent watersheds (Tangnaihai, 120 000 km2 and Lushi, 6400 km2). The results from the model represent the hydrographs and annual runoffs at two gauge stations over a relatively long‐term period (18 years at Tangnaihai and 21 years at Lushi). The model was applied to other watersheds of the Yellow River basin above Huayuankou station, and water budget components in each region were analysed. The results indicate only a small change in evapotranspiration, but a marked decrease in precipitation, which was significant in all of the analysed areas except the Lanzhou‐Toudaoguai inter‐watershed area. Water use for agricultural irrigation was stable throughout the entire simulation period. A numerical experiment of water conservation for the whole basin above Huayuankou station demonstrated that if the number of irrigation days was reduced by 20, 40 or 60%, the amount of water used could be reduced by 26·6, 52·1 or 80·7%, compared to the current situation. Copyright © 2010 John Wiley & Sons, Ltd.