bluuebunny/crossref_metadata_2025 huggingface dataset:
Neuropeptide regulators of the juvenile hormone biosynthesis (in vitro) in the beetle, Tenebrio molitor (Coleoptera, Tenebrionidae)
Authors: Abdel‐latief Mohatmed , Hoffmann Klaus H.
Published: June 2010

The genome of Tribolium castaneum encodes two allatostatin [AS type B; W(X)6Wamide and AS type C; PISCF‐OH] and one allatotropin (AT) precursor, but no AS type A (FGLamide) (Tribolium Genome Sequencing Consortium, 2008: Nature 452:949–955). Here we studied the activity (in vitro) of peptides derived from these precursors on the synthesis/release of juvenile hormone (JH) III. The corpora cardiaca‐corpora allata (CC‐CA) complexes of adult females of another tenebrionid beetle, the mealworm Tenebrio molitor, were used. Incubating the gland complexes in a medium containing Trica‐AS B3 peptide, we showed that the peptide has allatostatic function in T. molitor. The activity of the type C AS depended on the age of the test animals and their intrinsic rate of JH III biosynthesis. The Trica‐AS C peptide inhibited the JH release from CA of 3‐day‐old females with a high intrinsic rate of JH synthesis, but activated JH release from the CA of 7‐day‐old females with a lower intrinsic rate of JH production. The allatotropin peptide (Trica‐AT) also activated the JH release from the CA of 7‐day‐old females in a dose‐dependent and reversible manner. Unexpectedly, a type A AS derived from the precursor of the American cockroach Periplaneta americana (Peram‐AS A2b) inhibited the JH release from the CA of younger and older females in the concentration range of 10−8 to 10−4 M, and the effects were fully reversible in the absence of peptide. These data suggest a complex role of allatoactive neuropeptides in the regulation of JH III biosynthesis in beetles. © 2010 Wiley Periodicals, Inc.
Production and characterization of a recombinant beta‐1,4‐endoglucanase (glycohydrolase family 9) from the termite Reticulitermes flavipes
Authors: Zhou Xuguo , Kovaleva Elena S. , Wu‐Scharf Dancia , Campbell James H. , Buchman George W. , Boucias Drion G. , Scharf Michael E.
Published: June 2010

Cell‐1 is a host‐derived beta‐1,4‐endoglucanase (Glycohydrolase Family 9 [GHF9]) from the lower termite Reticulitermes flavipes. Here, we report on the heterologous production of Cell‐1 using eukaryotic (Baculovirus Expression Vector System; BEVS) and prokaryotic (E. coli) expression systems. The BEVS‐expressed enzyme was more readily obtained in solubilized form and more active than the E. coli–expressed enzyme. Km and Vmax values for BEVS‐expressed Cell‐1 against the model substrate CMC were 0.993% w/v and 1.056 µmol/min/mg. Additional characterization studies on the BEVS‐expressed enzyme revealed that it possesses activity comparable to the native enzyme, is optimally active around pH 6.5–7.5 and 50–60°C, is inhibited by EDTA, and displays enhanced activity up to 70°C in the presence of CaCl2. These findings provide a foundation on which to begin subsequent investigations of collaborative digestion by coevolved host and symbiont digestive enzymes from R. flavipes that include GHF7 exoglucanases, GHF1 beta glucosidases, phenol‐oxidizing laccases, and others. © 2010 Wiley Periodicals, Inc.
Facile Synthesis and Antibacterial, Antitubercular, and Anticancer Activities of Novel 1,4‐Dihydropyridines
Authors: Sirisha Kalam , Achaiah Garlapati , Reddy Vanga Malla
Published: June 2010

A series of twenty new 4‐substituted‐2,6‐dimethyl‐3,5‐bis‐N‐(heteroaryl)‐carbamoyl‐1,4‐dihydropyridines have been prepared from a three‐component one‐pot condensation reaction of N‐heteroaryl acetoacetamide, an aromatic/heteroaromatic aldehyde, and ammonium acetate under four different experimental conditions. Except for the conventional method, all the experimental conditions were simple, eco‐friendly, economical, and the reactions were rapid and high‐yielding. The methods employed have been compared in terms of yields, cost, and simplicity. The synthesized compounds were characterized by different spectroscopic techniques and evaluated for their in‐vitro anticancer, antibacterial, and antitubercular activities. Amongst the compounds tested, compound 25 exhibited the highest anticancer activity while compounds 14 and 18 exhibited significant antibacterial and antitubercular activities.
The reliance on unclaimed cadavers for anatomical teaching by medical schools in Africa
Authors: Gangata Hope , Ntaba Phatheka , Akol Princess , Louw Graham
Published: June 2010

The study of gross Anatomy through the use of cadaveric dissections in medical schools is an essential part of the comprehensive learning of human Anatomy, and unsurprisingly, 90% of the surveyed medical schools in Africa used cadaveric dissections. Donated cadavers now make up 80% of the total cadavers in North American medical schools and all the cadavers used for dissection in the United Kingdom are donated. Because the sources of cadavers used in Africa are not clearly known, a questionnaire to gather information on cadavers used at medical schools was designed from the relevant literature and was sent by electronic mail to 123 Anatomy lecturers in 23 African countries (48 medical schools). Fourteen lecturers from 14 medical schools in ten countries responded to the questionnaires. The results indicate that, in most countries, the cadavers are unclaimed bodies from the hospitals and prisons, and the bodies of dead bandits. In South Africa and Zimbabwe, the donations are mostly from the white community, and medical school in the Islamic country of Libya is importing cadavers from India. The lack of knowledge about body donation programes and firmly held cultural and religious burial traditions may explain the lack of bequests from black communities. The use of unclaimed bodies may disproportionally affect people who were homeless and poor, criminals, people with fewer social links, and social outcasts. The Anatomy lecturers felt that there should be broader national awareness programes for body donations, although the benefits of this could take decades to materialize. Anat Sci Educ, 2010. © 2010 American Association of Anatomists.
Summary of recommendations of the first workshop on Postprocessing and Downscaling Atmospheric Forecasts for Hydrologic Applications held at Météo‐France, Toulouse, France, 15–18 June 2009
Authors: Schaake John , Pailleux Jean , Thielen Jutta , Arritt Ray , Hamill Tom , Luo Lifeng , Martin Eric , McCollor Doug , Pappenberger Florian
Published: June 2010

Hydrologists are increasingly using numerical weather forecasting products as an input to their hydrological models. These products are often generated on relatively coarse scales compared with hydrologically relevant basin units and suffer systematic biases that may have considerable impact when passed through the nonlinear hydrological filters. Therefore, the data need processing before they can be used in hydrological applications. This manuscript summarises discussions and recommendations of the first workshop on Postprocessing and Downscaling Atmospheric Forecasts for Hydrologic Applications held at Meteo France, Toulouse, France, 15–18 June 2008. The recommendations were developed by work groups that considered the following three areas of ensemble prediction: (1) short range (0–2 days), (2) medium range (3 days to 2 weeks), and (3) sub‐seasonal and seasonal (beyond 2 weeks). Copyright © 2010 Royal Meteorological Society
Propagation of uncertainty from observing systems into NWP: COST‐731 Working Group 1
Authors: Rossa A. , Haase G. , Keil C. , Alberoni P. , Ballard S. , Bech J. , Germann U. , Pfeifer M. , Salonen K.
Published: June 2010

The COST‐731 Action is focused on uncertainty propagation in hydrometeorological forecasting chains. The goals and activities of the Action Working Group 1 can be subdivided by (1) describing and studying the impact of imperfect observations, mostly from radar, (2) exploiting radar data assimilation as a promising avenue for improved short‐range precipitation forecasts and (3) high‐resolution ensemble forecasting. Activities of Working Group 1 are presented along with their possible significance for hydrological applications. Copyright © 2010 Royal Meteorological Society and Crown copyright
Effects of regulation changes in seoul bus system: private bus operation under non‐competitive fixed price contract
Authors: Kim Songju , Shon Euiyoung
Published: June 2010

One of crucial measures introduced under Seoul Public Transport Reforms 2004 was the regulatory framework change of intra‐urban bus from the poorly regulated private operations with operating subsidy, towards the highly regulated one via fixed price contracts. The focus of this paper is placed on (1) addressing the challenges newly faced after Seoul Bus Reform 2004, and (2) proposing some strategies in order to ensure better bus operation overall the reforms was a success in many aspects, resulting in the increase of patronage of urban transit, the dramatic drop of bus accidents, and introducing exclusive median lanes. Unfortunately, the previously small, family‐owned, inefficient bus companies were transferred to monopoly franchises under the reforms, thus institutionalizing a non‐competitive supply situation. The exclusive operating right‐of‐way is still protected as a judicial precedent set by the Korean Supreme Court. The current non‐competitive bus contracts such as a sole‐source negotiation procurement must be modified into competitive tendering in the long run, and the major obstacles to this strategy and the detailed scheme are reviewed. Further, the short‐term strategies was proposed including (a) the development of more sophisticated standard cost model incorporating a route structure and/or the patronage change; (b) the introduction of yardstick regulation; and (c) extended incentives and penalties. Copyright © 2010 John Wiley & Sons, Ltd.
Capacity evaluation of multi‐lane traffic roundabout
Authors: Bie Jing , Lo Hong K. , Wong S. C.
Published: June 2010

The entry capacity at a traffic roundabout is typically evaluated for each entry approach, considering the circulating flow and geometric characteristics, e.g., the US highway capacity manual model and the UK Linear Regression model. These models are not appropriate for analyzing multi‐lane roundabouts because they do not take into account the possible unequal traffic distribution between the circulating lanes. This paper introduces a lane‐based methodology that evaluates the entry capacity for each individual lane while considering the traffic distribution on the circulating lanes. The arrival and circulating flows are formulated based on drivers' lane choice patterns. We then modify and extend the formulae from existing models for the analysis of capacity of multi‐lane roundabout. Based on the analysis, we show that higher capacity can be achieved when the utilization on the circulating lanes is more balanced. This result can lead to improved design and management techniques to increase the capacity of multi‐lane roundabout. Copyright © 2010 John Wiley & Sons, Ltd.
Identifying key risk factors in air traffic control by exploratory and confirmatory factor analysis
Authors: Chiou Yu‐Chiun , Chen Ze‐Ting
Published: June 2010

This study employs exploratory and confirmatory factor analysis to identify key risk factors in air traffic control (ATC) influencing aviation safety and to explore the correlational relationships among constructs from the perspectives of air traffic controllers. A total of 57 potential risk factors are first proposed based on the framework of SHEL, namely software, hardware, environment, and liveware, by referring to a review of the related literature and observing local issues in Taiwan. Interviews are then conducted with some 232 Taiwan air traffic controllers and supervisors. Exploratory factor analysis is first performed to determine the item‐factor assignment and develop an initially proposed framework. Next, confirmatory factor analysis is performed to test the construct validity. The correlational relationships among constructs are further investigated. The results reveal that 26 of the 57 potential risk factors studied can be characterized as key risk factors. These factors are associated with five constructs – constitutional framework, human error, system interface, external communications, and controller capabilities and physical conditions. Based on the identified key factors and the tested correlational relationships among constructs, appropriate countermeasures are proposed for mitigating ATC risks. Copyright © 2010 John Wiley & Sons, Ltd.
Applying the Rasch measurement to explore elderly passengers' abilities and difficulties when using buses in Taipei
Authors: Chang Hsin‐Li , Wu Shun‐Cheng
Published: June 2010

This study developed an approach for measuring elderly passengers' abilities and to explore their difficulties in accomplishing the actions and motions required to patronize the bus service. A conceptual framework about the required actions and motions in bus‐taking was established and a questionnaire with 18 items was designed to test their ability to use buses. A face‐to‐face survey was conducted to collect self‐rated information from 304 elderly bus passengers in Taipei. The Rasch model was applied to estimate the difficulty of each item and the ability of each person to use a bus. Results showed the relatively difficult items primarily involved keeping balance on the moving bus, reading the posted information at the station, and recognizing the buses approaching the stations; the levels of physical ability were negatively associated with the respondent's age. Suggestions are made based on improving the facilities or services to help the elderly passengers achieve the necessary actions or motions for using the bus service. Copyright © 2010 John Wiley & Sons, Ltd.
The analysis of motor vehicle crash clusters using the vector quantization technique
Authors: Mussone Lorenzo , Kim Karl
Published: June 2010

In this paper, a powerful tool for analyzing motor vehicle data based on the vector quantization (VQ) technique is demonstrated. The technique uses an approximation of a probability density function for a stochastic vector without assuming an “a priori” distribution. A self‐organizing map (SOM) is used to transform accident data from an N‐dimensional space into a two‐dimensional plane. The SOM retains all the original data yet provides an effective visual tool for describing patterns such as the frequency at which a particular category of events occurs. This enables new relationships to be identified. Accident data from three cities in Italy (Turin, Milan, and Legnano) are used to illustrate the usefulness of the technique. Crashes are aggregated and clustered crashes by type, severity, and along other dimensions. The paper includes discussion as to how this method can be utilized to further improve safety analysis. Copyright © 2010 John Wiley & Sons, Ltd.
Intelligent transportation systems: an impact analysis for Michigan
Authors: Farooq Umar , Siddiqui Muhammad Abrar , Gao Lei , Hardy Jennifer Lynn
Published: June 2010

Are Intelligent Transportation Systems (ITS) affecting transportation industry only? ITS are currently perceived as a contribution to transportation industry only; however, by quantitatively analyzing the economic impact of ITS on the state of Michigan, this work attempts to answer the posed question. The quantitative economic analysis is carried out through the well‐established Leontief's Input–Output (I‐O) model. This model is employed to establish ITS effects on each industry by detailing RIMS II I‐O tables for Michigan constructed from the national I‐O tables. Major savings by ITS identified as reduced time delays and fuel cost savings are quantitatively simulated thereby generating an overall cost reduction factor which is incorporated in Michigan I‐O tables to modify their characteristics. ITS impact on each industry in I‐O tables is achieved by maximizing effects on certain selected industries. Impact multipliers that are customary macro‐economic measures for I‐O analysis are then calculated for all the aggregated industries. Multipliers comparison for the three cases namely before ITS implementation, conventional improvement methods, and after ITS implementation is evaluated. These values suggest greater economic benefits that may be achieved by statewide implementation of the ITS. Copyright © 2010 John Wiley & Sons, Ltd.
Genetic and lifestyle variables associated with homocysteine concentrations and the distribution of folate derivatives in healthy premenopausal women
Authors: Summers Carolyn M. , Mitchell Laura E. , Stanislawska‐Sachadyn Anna , Baido Shirley F. , Blair Ian A. , Von Feldt Joan M. , Whitehead Alexander S.
Published: June 2010

BACKGROUND

Low folate and high homocysteine (Hcy) concentrations are associated with pregnancy‐related pathologies such as spina bifida. Polymorphisms in folate/Hcy metabolic enzymes may contribute to this potentially pathogenic biochemical phenotype.

METHODS

The study comprised 26 Caucasian and 23 African‐American premenopausal women. Subjects gave fasting blood samples for biochemical phenotyping and genotyping. Total Hcy (tHcy) and both plasma and red blood cell (RBC) folate derivatives (i.e. tetrahydrofolate [THF], 5‐methylTHF [5‐MTHF], and 5,10‐methenylTHF [5,10‐MTHF]) were measured using stable isotope dilution liquid chromatography, multiple reaction monitoring, and mass spectrometry. Eleven polymorphisms from nine folate/Hcy pathway genes were genotyped. Tests of association between genetic, lifestyle, and biochemical variables were applied.

RESULTS

In African American women, tHcy concentrations were associated (p < 0.05) with total RBC folate, RBC 5‐MTHF, B12, and polymorphisms in methionine synthase (MTR) and thymidylate synthase (TYMS). In Caucasian women, tHcy concentrations were not associated with total folate levels, but were associated (p < 0.05) with RBC THF, ratios of RBC 5‐MTHF:THF, and polymorphisms in 5,10‐methylenetetrahydrofolate reductase (MTHFR) and MTR. In African Americans, folate derivative levels were associated with smoking, B12, and polymorphisms in MTR, TYMS, methionine synthase reductase (MTRR), and reduced folate carrier1 (RFC1). In Caucasians, folate derivative levels were associated with vitamin use, B12, and polymorphisms in MTHFR, TYMS, and RFC1.

CONCLUSIONS

Polymorphisms in the folate/Hcy pathway are associated with tHcy and folate derivative levels. In African American and Caucasian women, different factors are associated with folate/Hcy phenotypes and may contribute to race‐specific differences in the risks of a range of pregnancy‐related pathologies. Birth Defects Research (Part A), 2010. © 2010 Wiley‐Liss, Inc.
The relationship between sonic Hedgehog signaling, cilia, and neural tube defects
Authors: Murdoch Jennifer N. , Copp Andrew J.
Published: June 2010

The Hedgehog signaling pathway is essential for many aspects of normal embryonic development, including formation and patterning of the neural tube. Absence of the sonic hedgehog (shh) ligand is associated with the midline defect holoprosencephaly, whereas increased Shh signaling is associated with exencephaly and spina bifida. To complicate this apparently simple relationship, mutation of proteins required for function of cilia often leads to impaired Shh signaling and to disruption of neural tube closure. In this article, we review the literature on Shh pathway mutants and discuss the relationship between Shh signaling, cilia, and neural tube defects. Birth Defects Research (Part A), 2010. © 2010 Wiley‐Liss, Inc.
Association between genetic variants of reported candidate genes or regions and risk of cleft lip with or without cleft palate in the polish population
Authors: Mostowska Adrianna , Hozyasz Kamil K. , Wojcicki Piotr , Biedziak Barbara , Paradowska Patrycja , Jagodzinski Pawel P.
Published: June 2010

BACKGROUND

Cleft lip with or without cleft palate (CL/P) is one of the most common craniofacial malformations, with a complex and multifactorial etiology. Because of the genetic heterogeneity of facial clefts, the aim of this study was to investigate the contribution of previously reported candidate genes and chromosomal loci to the risk of CL/P in the Polish population.

METHODS

We performed an analysis of 18 polymorphisms of FOXE1, IRF6, MSX1, PAX9, TBX10, FGF10, FGFR1, TGFα, TGFβ3, SUMO1, and the chromosomal region 8q24 in a group of 175 patients with CL/P and a properly matched control group.

RESULTS

Highly significant results were observed for the IRF6 rs642961 variant and the 8q24 region's rs987525 (odds ratio [OR]AG+AAvsGG, 1.635; 95% confidence interval [CI], 1.153–2.319; p = 0.005; and ORAC+AAvsCC, 1.962; 95% CI, 1.382–2.785; p = 1.4 × 10−4, respectively). For rs987525, the results were also significant after correction for multiple comparisons. Borderline association with an increased risk of CL/P was also identified for the SUMO1 locus (rs2350350; ORCGvsGG, 1.580; 95% CI, 1.056–2.363; p = 0.025).

CONCLUSIONS

Our findings confirmed that genetic variants of IRF6 and the polymorphism located in the 8q24 gene desert are strongly involved in the etiology of facial clefts in the Polish population sample. Birth Defects Research (Part A), 2010. © 2010 Wiley‐Liss, Inc.
The cynomolgus monkey as a model for developmental toxicity studies: variability of pregnancy losses, statistical power estimates, and group size considerations
Authors: Jarvis Philip , Srivastav Shiela , Vogelwedde Elvira , Stewart Jane , Mitchard Terri , Weinbauer Gerhard F.
Published: June 2010

BACKGROUND: This work evaluates pregnancy and infant loss in 1,069 vehicle‐treated cynomolgus monkeys from 78 embryo‐fetal development (EFD) studies and 14 pre‐postnatal development (PPND) studies accrued during 1981–2007. METHODS: Losses were analysed by survival function and hazard ratio using logistic regression for influence of year, study type (e.g., dose duration), and test item route of administration (ig, im, iv, sc). RESULTS: Neither study type nor route of dosing affected pregnancy outcome. Losses were higher pre‐1990 (104 losses/347 pregnancies) compared to 1990 onwards (94 losses/722 pregnancies). Losses were greatest before gestation day 50 and at parturition. Using post‐1989 data, Monte‐Carlo simulations of pregnancy outcomes were created. The power associated with the comparison of vehicle survival curves and simulated adverse survival curves was examined. This showed that EFD studies with initial vehicle group sizes of 16 and 20 have an 80% probability of having 13 and 16 ongoing pregnancies at gestational day 100, respectively. For PPND studies with initial vehicle group sizes of 16, 20, or 28, there is an 80% likelihood of having 9, 11, or 16 infants at day 7 post‐partum, respectively. A PPND study initiated with group size 20 could detect a threefold increase of test item–related pregnancy or infant loss. CONCLUSIONS: For designing and managing primate developmental toxicity studies, this type of analysis provides an objective tool to facilitate decisions either by supplementing groups with additional pregnant animals or stopping a group because an adverse effect on offspring survival has already been adequately revealed. Birth Defects Res (Part B) 89:175–187, 2010.© 2010 Wiley‐Liss, Inc.
Non‐coding RNAs: Meet thy masters
Authors: Costa Fabrício F.
Published: June 2010

New DNA sequencing technologies have provided novel insights into eukaryotic genomes, epigenomes, and the transcriptome, including the identification of new non‐coding RNA (ncRNA) classes such as promoter‐associated RNAs and long RNAs. Moreover, it is now clear that up to 90% of eukaryotic genomes are transcribed, generating an extraordinary range of RNAs with no coding capacity. Taken together, these new discoveries are modifying the status quo in genomic science by demonstrating that the eukaryotic gene pool is divided into two distinct categories of transcripts: protein‐coding and non‐coding. The function of the majority of ncRNAs produced by the transcriptome is largely unknown; however, it is probable that many are associated with epigenetic mechanisms. The purpose of this review is to describe the most recent discoveries in the ncRNA field that implicate these molecules as key players in the epigenome.
Why bacteria matter in animal development and evolution
Authors: Fraune Sebastian , Bosch Thomas C. G.
Published: June 2010

While largely studied because of their harmful effects on human health, there is growing appreciation that bacteria are important partners for invertebrates and vertebrates, including man. Epithelia in metazoans do not only select their microbiota; a coevolved consortium of microbes enables both invertebrates and vertebrates to expand the range of diet supply, to shape the complex immune system and to control pathogenic bacteria. Microbes in zebrafish and mice regulate gut epithelial homeostasis. In a squid, microbes control the development of the symbiotic light organ. These discoveries point to a key role for bacteria in any metazoan existence, and imply that beneficial bacteria‐host interactions should be considered an integral part of development and evolution.
TRPM1: The endpoint of the mGluR6 signal transduction cascade in retinal ON‐bipolar cells
Authors: Morgans Catherine W. , Brown Ronald Lane , Duvoisin Robert M.
Published: June 2010

For almost 30 years the ion channel that initiates the ON visual pathway in vertebrate vision has remained elusive. Recent findings now indicate that the pathway, which begins with unbinding of glutamate from the metabotropic glutamate receptor 6 (mGluR6), ends with the opening of the transient receptor potential (TRP)M1 cation channel. As a component of the mGluR6 signal transduction pathway, mutations in TRPM1 would be expected to cause congenital stationary night blindness (CSNB), and several such mutations have already been identified in CSNB families. Furthermore, expression of TRPM1 in both the retina and skin raises the possibility that a genetic link exists between certain types of visual and skin disorders.
An embryonic story: Analysis of the gene regulative network controlling Xist expression in mouse embryonic stem cells
Authors: Navarro Pablo , Avner Philip
Published: June 2010

In mice, dosage compensation of X‐linked gene expression is achieved through the inactivation of one of the two X‐chromosomes in XX female cells. The complex epigenetic process leading to X‐inactivation is largely controlled by Xist and Tsix, two non‐coding genes of opposing function. Xist RNA triggers X‐inactivation by coating the inactive X, while Tsix is critical for the designation of the active X‐chromosome through cis‐repression of Xist RNA accumulation. Recently, a plethora of trans‐acting factors and cis‐regulating elements have been suggested to act as key regulators of either Xist, Tsix or both; these include ubiquitous factors such as Yy1 and Ctcf, developmental proteins such as Nanog, Oct4 and Sox2, and X‐linked regulators such as Rnf12. In this paper we summarise recent advances in our knowledge of the regulation of Xist and Tsix in embryonic stem (ES) and differentiating ES cells.
Hierarchical Bayesian modeling of random and residual variance–covariance matrices in bivariate mixed effects models
Authors: Bello Nora M. , Steibel Juan P. , Tempelman Robert J.
Published: June 2010

Bivariate mixed effects models are often used to jointly infer upon covariance matrices for both random effects (u) and residuals (e) between two different phenotypes in order to investigate the architecture of their relationship. However, these (co)variances themselves may additionally depend upon covariates as well as additional sets of exchangeable random effects that facilitate borrowing of strength across a large number of clusters. We propose a hierarchical Bayesian extension of the classical bivariate mixed effects model by embedding additional levels of mixed effects modeling of reparameterizations of u‐level and e‐level (co)variances between two traits. These parameters are based upon a recently popularized square‐root‐free Cholesky decomposition and are readily interpretable, each conveniently facilitating a generalized linear model characterization. Using Markov Chain Monte Carlo methods, we validate our model based on a simulation study and apply it to a joint analysis of milk yield and calving interval phenotypes in Michigan dairy cows. This analysis indicates that the e‐level relationship between the two traits is highly heterogeneous across herds and depends upon systematic herd management factors.
Triplexes with 8‐Aza‐2′‐Deoxyisoguanosine Replacing Protonated dC: Probing Third Strand Stability with a Fluorescent Nucleobase Targeting Duplex DNA
Authors: Seela Frank , Jiang Dawei , Budow Simone
Published: June 2010

The fluorescent 8‐aza‐2′‐deoxyisoguanosine (4) as well as the parent 2′‐deoxyisoguanosine (1) were used as protonated dCH+ surrogates in the third strand of oligonucleotide triplexes. Stable triplexes were formed by Hoogsteen base pairing. In contrast to dC, triplexes containing nucleoside 1 or 4 in place of dCH+ are already formed under neutral conditions or even at alkaline pH values. Triplex melting can be monitored separately from duplex dissociation in cases in which the third strand contains the fluorescent nucleoside 4. Third‐strand binding of oligonucleotides with 4, opposite to dG, was selective as demonstrated by hybridisation experiments studying mismatch discrimination. Third‐strand binding is more efficient when the stability of the DNA duplex is reduced by mismatches, giving third‐strand binding more flexibility.
Modification of Substrate Specificity Resulting in an Epoxide Hydrolase with Shifted Enantiopreference for (2,3‐Epoxypropyl)benzene
Authors: Gurell Ann , Widersten Mikael
Published: June 2010

Random mutagenesis targeted at hotspots of noncatalytic active‐site residues of potato epoxide hydrolase StEH1 combined with an enzyme‐activity screen allowed the isolation of enzyme variants displaying altered enantiopreference in the catalyzed hydrolysis of (2,3‐epoxypropyl)benzene. The wild‐type enzyme favored the S enantiomer with a ratio of 2.5:1, whereas the variant displaying the most radical functional changes showed a 15:1 preference for the R enantiomer. This mutant had accumulated four substitutions distributed over two out of four mutated hotspots: W106L, L109Y, V141K, and I151V. The underlying causes of the enantioselectivity were a decreased catalytic efficiency in the catalyzed hydrolysis of the S enantiomer combined with retained activity with the R enantiomer. The results demonstrate the feasibility of molding the stereoselectivity of this biocatalytically relevant enzyme.
A General Approach to Fabricate Diverse Noble‐Metal (Au, Pt, Ag, Pt/Au)/Fe2O3 Hybrid Nanomaterials
Authors: Zhang Jun , Liu Xianghong , Guo Xianzhi , Wu Shihua , Wang Shurong
Published: June 2010

A novel, facile, and general one‐pot strategy is explored for the synthesis of diverse noble‐metal (Au, Pt, Ag, or Pt/Au)/Fe2O3 hybrid nanoparticles with the assistance of lysine (which is a nontoxic, user friendly amino acid that is compatible with organisms) and without using any other functionalization reagents. Control experiments show that lysine, which contains both amino and carboxylic groups, plays dual and crucial roles as both linker and capping agents in attaching noble metals with a small size and uniform distribution onto an Fe2O3 support. Considering the perfect compatibility of lysine with organism, this approach may find potentials in biochemistry and biological applications. Furthermore, this novel route is also an attractive alternative and supplement to the current methods using a silane coupling agent or polyelectrolyte for preparing hybrid nanomaterials. To demonstrate the usage of such hybrid nanomaterials, a chemical gas sensor has been fabricated from the as‐synthesized Au/Fe2O3 nanoparticles and investigated for ethanol detection. Results show that the hybrid sensor exhibits significantly improved sensor performances in terms of high sensitivity, low detection limit, better selectivity, and good reproducibility in comparison with pristine Fe2O3. Most importantly, this general approach can be further employed to fabricate other hybrid nanomaterials based on different support materials.
Group 2 Promoted Hydrogen Release from NMe2H⋅BH3: Intermediates and Catalysis
Authors: Liptrot David J. , Hill Michael S. , Mahon Mary F. , MacDougall Dugald J.
Published: June 2010

Both homo‐ and heteroleptic alkyl and amide complexes of the Group 2 elements Mg and Ca are shown to be active for the catalytic dehydrocoupling of Me2NH⋅BH3. Reactions of either magnesium dialkyls or the β‐diketiminate complex [HC{(Me)CN(Dipp)}2MgnBu] with four or two equivalents of Me2NHBH3, respectively, produce compounds containing the [H3BNMe2BH2Me2N]− ion, which coordinates to the magnesium centers through MgN and Mg⋅⋅⋅HB interactions in both the solution and solid states. Thermolysis of these compounds at 60 °C produces the cyclic product [(H2BNMe2)2] and, it is proposed, magnesium hydrido species by an unprecedented δ‐hydride elimination process. Calcium‐based species, although less reactive than their magnesium‐based counterparts, are found to engage in similar dehydrocoupling reactivity and to produce a similar distribution of products under thermally promoted catalytic conditions. A mechanism for these observations is presented that involves initial production and insertion of H2BNMe2 into polarized MN bonds as the major BN bond‐forming step. The efficacy of this insertion and subsequent β‐ or δ‐hydride elimination steps is proposed to be dependent upon the charge density and polarizing capability of the participating Group 2 center, providing a rationale for the observed differences in reactivity between magnesium and calcium.
Cu and Au Metal–Organic Frameworks Bridge the Gap between Homogeneous and Heterogeneous Catalysts for Alkene Cyclopropanation Reactions
Authors: Corma Avelino , Iglesias Marta , Llabrés i Xamena Francesc X. , Sánchez Félix
Published: June 2010

The copper and gold metal–organic frameworks (MOFs) [Cu3(BTC)2(H2O)3]n, [Cu3(BTC)2] (BTC=benzene‐1,3,5‐tricarboxylate), and IRMOF‐3‐SI‐Au are active and reusable solid catalysts for the cyclopropanation of alkenes with high chemo‐ and diastereoselectivities. This type of material gives better results than previous solid catalysts while working together with the homogeneous catalysts. These MOFs can help to bridge the gap between homogeneous and heterogeneous catalysis.
Near‐IR Core‐Substituted Naphthalenediimide Fluorescent Chemosensors for Zinc Ions: Ligand Effects on PET and ICT Channels
Authors: Lu Xinyu , Zhu Weihong , Xie Yongshu , Li Xin , Gao Yuan , Li Fuyou , Tian He
Published: June 2010

Near‐IR (NIR) emission can offer distinct advantages for both in vitro and in vivo biological applications. Two NIR fluorescent turn‐on sensorsN,N′‐di‐n‐butyl‐2‐(N‐{2‐[bis(pyridin‐2‐ylmethyl)amino]ethyl})‐6‐(N‐piperidinyl)naphthalene‐1,4,5,8‐tetracarboxylic acid bisimide andN,N′‐di‐n‐butyl‐2‐[N,N,N′‐tri(pyridin‐2‐ylmethyl)amino]ethyl‐6‐(N‐piperidinyl)naphthalene‐1,4,5,8‐tetracarboxylic acid bisimide (PND and PNT) for Zn2+based on naphthalenediimide fluorophore are reported. Our strategy was to choose core‐substituted naphthalenediimide (NDI) as a novel NIR fluorophore andN,N‐di(pyridin‐2‐ylmethyl)ethane‐1,2‐diamine (DPEA) orN,N,N′‐tri(pyridin‐2‐ylmethyl)ethane‐1,2‐diamine (TPEA) as the receptor, respectively, so as to improve the selectivity to Zn2+. In the case of PND, the negligible shift in absorption and emission spectra is strongly suggestive that the secondary nitrogen atom (directly connected to the NDI moiety,N1) is little disturbed with Zn2+. The fluorescence enhancement of PND with Zn2+titration is dominated with a typical photoinduced electron‐transfer (PET) process. In contrast, theN1atom for PNT can participate in the coordination of Zn2+ion, diminishing the electron delocalization of the NDI moiety and resulting in intramolecular charge‐transfer (ICT) disturbance. For PNT, the distinct blueshift in both absorbance and fluorescence is indicative of a combination of PET and ICT processes, which unexpectedly decreases the sensitivity to Zn2+. Due to the differential binding mode caused by the ligand effect, PND shows excellent selectivity to Zn2+over other metal ions, with a larger fluorescent enhancement centered at 650 nm. Also both PND and PNT were successfully used to image intracellular Zn2+ions in the living KB cells.
Atomistic Characterisation of Li+ Mobility and Conductivity in Li7−xPS6−xIx Argyrodites from Molecular Dynamics Simulations, Solid‐State NMR, and Impedance Spectroscopy
Authors: Pecher Oliver , Kong Shiao‐Tong , Goebel Thorsten , Nickel Vera , Weichert Katja , Reiner Christof , Deiseroth Hans‐Jörg , Maier Joachim , Haarmann Frank , Zahn Dirk
Published: June 2010

The atomistic mechanisms of Li+ ion mobility/conductivity in Li7−xPS6−xIx argyrodites are explored from both experimental and theoretical viewpoints. Ionic conductivity in the title compound is associated with a solid–solid phase transition, which was characterised by low‐temperature differential scanning calorimetry, 7Li and 127I NMR investigations, impedance measurements and molecular dynamics simulations. The NMR signals of both isotopes are dominated by anisotropic interactions at low temperatures. A significant narrowing of the NMR signal indicates a motional averaging of the anisotropic interactions above 177±2 K. The activation energy to ionic conductivity was assessed from both impedance spectroscopy and molecular dynamics simulations. The latter revealed that a series of interstitial sites become accessible to the Li+ ions, whilst the remaining ions stay at their respective sites in the argyrodite lattice. The interstitial positions each correspond to the centres of tetrahedra of S/I atoms, and differ only in terms of their common corners, edges, or faces with adjacent PS4 tetrahedra. From connectivity analyses and free‐energy rankings, a specific tetrahedron is identified as the key restriction to ionic conductivity, and is clearly differentiated from local mobility, which follows a different mechanism with much lower activation energy. Interpolation of the lattice parameters as derived from X‐ray diffraction experiments indicates a homogeneity range for Li7−xPS6−xIx with 0.97≤x≤1.00. Within this range, molecular dynamics simulations predict Li+ conductivity at ambient conditions to vary considerably.
N‐Sulfinyl Amines as a Nitrogen Source in the Asymmetric Intramolecular Aza‐Michael Reaction: Total Synthesis of (−)‐Pinidinol
Authors: Fustero Santos , Monteagudo Silvia , Sánchez‐Roselló María , Flores Sonia , Barrio Pablo , del Pozo Carlos
Published: June 2010

N‐Sulfinyl amines have been successfully employed as nitrogen nucleophiles for the asymmetric intramolecular aza‐Michael reaction. The synthetic strategy involves a cross‐metathesis reaction followed by the Michael‐type cyclization, either in a base‐catalyzed two‐step procedure or in a tandem fashion. The developed methodology allows access to chiral substituted pyrrolidines and piperidines bearing one or two stereocenters and it has been applied to the synthesis of the piperidine alkaloid (−)‐pinidinol.
ChemInform Abstract: Electronic Structures and Properties of Eight‐Coordinate Metal—Polyarsenic Complexes MAs8n‐ (M: V, Nb, Ta, Cr, Mo, W, Mn, Tc, Re)
Authors: Li Jun , Wu Kechen
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Evidence of Bilayer Structure in V2O5 Xerogel.
Authors: Giorgetti Marco , Passerini Stefano , Smyrl William H. , Berrettoni Mario
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: LiEuPSe4 and KEuPSe4: Novel Selenophosphates with the Tetrahedral [PSe4]3‐ Building Block.
Authors: Aitken Jennifer A. , Chondroudis Konstantinos , Young Jr. Victor G. , Kanatzidis Mercouri G.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Structural Features of Ag[AuF4] and Ag[AuF6] and the Structural Relationship of Ag[AgF4]2 and Au[AuF4]2 to Ag[AuF4]2.
Authors: Graudejus Oliver , Wilkinson Angus P. , Bartlett Neil
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Crystal Structure, Vibrational Spectra, and Normal Coordinate Analysis of (CH2py2)[Ru(NO)FCl4].
Authors: Reese I. , Preetz W.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Rubidium Stannate(IV), Rb4SnO4.
Authors: Hoch Constantin , Roehr Caroline
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Mercury(II) Polyphosphate, Hg(PO3)2.
Authors: Weil Matthias , Glaum Robert
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Ternary Halides of the Type A3MX6. Part 9. Crystal Structures of Na3TiCl6 and K3TiCl6.
Authors: Hinz Dirk , Gloger Thomas , Meyer Gerd
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Sn4.4Mo24O38.
Authors: Barrier N. , Tortelier J. , Gougeon P.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: A New Cluster Complex, (NH4)6 [Mo4Se4(CN)12]×6H2O, Containing a Tetranuclear Mixed‐Valence Molybdenum Core.
Authors: Virovets Alexander V. , Fedin Vladimir P. , Samsonenko Denis G. , Clegg William
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Blue Emission of Pr3+ Ions in LaCl3 Crystal Triggered by U3+.
Authors: Deren P. J. , Krupa J.‐C. , Strek W.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Spectroscopic Properties of SrZnCl4:Ln2+ and BaZnCl4:Ln2+ (Ln: Eu, Sm, Tm).
Authors: Wickleder Claudia
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Homoatomic Clusters E93‐ with E: Ge, Sn, and Pb: EPR Spectra, Magnetism and Electrochemistry.
Authors: Faessler T. F. , Hunziker M. , Spahr M. E. , Lueken H. , Schilder H.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Nanocrystalline CuMS2 (M: In or Ga) Through a Solvothermal Process.
Authors: Lu Qingyi , Hu Junqing , Tang Kaibin , Qian Yitai , Zhou Guien , Liu Xianming
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: An ab initio Molecular Orbital Study on the Magnesium Controlled 1,3‐Cycloaddition of Nitrile Oxides and Allylic Alcohols with Regio‐ and Stereoselectivity.
Authors: Fukuda Shohei , Kamimura Akio , Kanemasa Shuji , Hori Kenzi
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Spectroscopic Analysis of Imidazolidines. Part 1. Electron Impact Mass Spectrometry.
Authors: Salerno Alejandra , Hedrera Monica E. , D'Accorso Norma B. , Alho Miriam Martins , Perillo Isabel A.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Stereochemistry and Conformational Analysis of Hemirubin.
Authors: Huggins Michael T. , Lightner David A.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis and Reactions of Biginelli Compounds. Part 19. X‐Ray Structure, Conformational Analysis, Enantioseparation, and Determination of Absolute Configuration of the Mitotic Kinesin Eg5 Inhibitor Monastrol.
Authors: Kappe C. Oliver , Shishkin Oleg V. , Uray Georg , Verdino Petra
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.