bluuebunny/crossref_metadata_2025 huggingface dataset:
Progress and challenges in forecast verification
Authors: Ebert E. , Wilson L. , Weigel A. , Mittermaier M. , Nurmi P. , Gill P. , Göber M. , Joslyn S. , Brown B. , Fowler T. , Watkins A.
Published: May 2013

Verification scientists and practitioners came together at the 5th International Verification Methods Workshop in Melbourne, Australia, in December 2011 to discuss methods for evaluating forecasts within a wide variety of applications. Progress has been made in many areas including improved verification reporting, wider use of diagnostic verification, development of new scores and techniques for difficult problems, and evaluation of forecasts for applications using meteorological information. There are many interesting challenges, particularly the improvement of methods to verify high resolution ensemble forecasts, seamless predictions spanning multiple spatial and temporal scales, and multivariate forecasts. Greater efforts are needed to make best use of new observations, forge greater links between data assimilation and verification, and develop better and more intuitive forecast verification products for end‐users. Copyright © 2013 Royal Meteorological Society
Changing WIC changes what children eat
Authors: Chiasson M.A. , Findley S.E. , Sekhobo J.P. , Scheinmann R. , Edmunds L.S. , Faly A.S. , McLeod N.J.
Published: May 2013

Objective

This study assessed the impact of revisions to the USDA Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) food packages on nutritional behavior and obesity in children 0‐ to 4‐years‐old participating in the New York State (NYS) WIC program. In January 2009, NYS was the first to implement these revisions, which added fruits, vegetables, and whole grains and replaced whole milk with low(1%)‐/nonfat milk for children 2‐ to 4‐year‐old.

Design and Methods

In this cross‐sectional study, >3.5 million administrative records in the NYS WIC Statewide Information System (WICSIS) were analyzed at 6‐month intervals from July to December 2008 (pre‐implementation) through July to December 2011. Behavioral data in WICSIS were obtained from parent interview by WIC staff at mandatory certification and recertification visits.

Results

Comparing July to December in 2008 and 2011, increases were observed in breastfeeding initiation (72.2‐77.5%); delaying introduction of solid foods until after 4 months of age (90.1‐93.8%); daily fruit (87.0‐91.6%), vegetable (78.1‐80.8%), and whole grain consumption (59.0‐64.4%) by children aged 1‐4 years; and switches from whole milk to low‐/nonfat milk by children aged 2‐4 years (66.4‐69.4%). In 1‐year‐old children, the proportion ≥95th percentile weight‐for‐recumbent length decreased from 15.1 to 14.2%; the proportion of children 2‐ to 4‐year‐old with body mass index (BMI) ≥95th percentile decreased from 14.6 to 14.2%.

Conclusions

These findings demonstrate that positive changes in dietary intake and reductions in obesity followed implementation of the USDA‐mandated cost‐neutral revisions to the WIC food package for the hundreds of thousands of young children participating in the NYS WIC program.
Prevalence of Sensory Modulation Disorder among Puerto Rican Preschoolers: An Analysis Focused on Socioeconomic Status Variables
Authors: Román‐Oyola Rosa , Reynolds Stacey
Published: May 2013

The purposes of this study were to determine the prevalence of sensory modulation disorder (SMD) in a sample of Puerto Rican preschoolers and to examine differences in the prevalence of SMD based on socioeconomic status (SES) variables. Caregivers of children from Head Start programs and private preschools were recruited from three regions in Puerto Rico (PR) to participate in the study. Each caregiver completed a Short Sensory Profile (SSP) and a demographic data sheet. Total scores on the SSP were used to establish diagnosis of SMD. The total sample included 141 participants (response rate of 64%). Prevalence of SMD among the total PR sample (19.9%) was higher than previously reported estimates on the US mainland (5–16%). Statistical results indicated no difference in the overall prevalence of SMD based on SES. However, significant differences in scores based on caregivers' educational degree were found on the SSP sub‐domain of Movement sensitivity and Under‐responsive/seeks sensation; differences in scores based on caregiver household income were also found for the SSP sub‐domain of Under‐responsive/seeks. Although SMD appears to be prevalent in preschoolers in PR, variables associated with SES do not appear to contribute to an overall SMD diagnosis. However, additional research linking specific sub‐domains of SMD to SES variables may be warranted. Copyright © 2013 John Wiley & Sons, Ltd.
Preparation and characterization of conducting polyaniline layered magnetic nano composite polymer particles
Authors: Ahmad H. , Kumar K. , Rahman M. A. , Rahman M. M. , Miah M. A. J. , Minami H. , Nuri M. A.
Published: May 2013

Considering the application potentials of organic materials possessing both conducting and ferromagnetic functions in various electronic devices, an attempt was made to prepare conducting polyaniline (PANI) layered magnetic nano composite polymer particles. Two routes were used to modify magnetic Fe3O4 core particles. In one route, seeded emulsion polymerization of methyl methacrylate (MMA) was carried out in presence of nano‐sized Fe3O4 core particles. In another route, cross‐linker ethyleneglycol dimethacrylate (EGDM) was used in addition to MMA. The modified composite particles were named as Fe3O4/PMMA and Fe3O4/P(MMA‐EGDM), respectively. Finally, seeded chemical oxidative polymerization of aniline was carried out in the presence of Fe3O4/PMMA and Fe3O4/P(MMA‐EGDM) composite seed particles to obtain Fe3O4/PMMA/PANI and Fe3O4/P(MMA‐EGDM)/PANI composite polymer particles. The modification of Fe3O4 core particles was confirmed by electron micrographs, FTIR, UV–visible spectra, X‐ray photoelectron spectra, X‐ray diffraction pattern and thermogravimetric analyses. A comparative study showed that crosslinking of intermediate shell improved the magnetic susceptibility and electrical conductivity of PANI layered magnetic nano composite particles. Copyright © 2013 John Wiley & Sons, Ltd.
Mechanical and anti‐stabbing properties of modified thermoplastic polymers impregnated multiaxial p‐aramid fabrics
Authors: Stojanović Dušica B. , Zrilić Milorad , Jančić‐Heinemann Radmila , Živković Irena , Kojović Aleksandar , Uskoković Petar S. , Aleksić Radoslav
Published: May 2013

New forms of hybrid multiaxial nanocomposites with enhanced mechanical and stab resisting properties are presented. This study is motivated by the lack of knowledge in the study of the multiaxial fabric nanocomposites with two modified thermoplastic matrices for antiballistic protection. Introduction of 5 wt.% silica nanoparticles in the composite of polyurethane/p‐aramid/poly (vinyl butyral) leads to significant improvement in mechanical properties, and the addition of silane as a coupling agents and glutaraldehyde as a crosslinking agents yielded maximal values of storage modulus, tensile modulus and anti‐stabbing properties for hybrid nanocomposites. Ballistic resistance testing and penetration depth of the hybrid nanocomposites were visualized using image analysis. Copyright © 2013 John Wiley & Sons, Ltd.
Proteomic analysis of acetylation in thermophilic Geobacillus kaustophilus
Authors: Lee Dong‐Woo , Kim Dooil , Lee Yong‐Jik , Kim Jung‐Ae , Choi Ji Young , Kang Sunghyun , Pan Jae‐Gu
Published: May 2013

Recent analysis of prokaryotic Nε‐lysine‐acetylated proteins highlights the posttranslational regulation of a broad spectrum of cellular proteins. However, the exact role of acetylation remains unclear due to a lack of acetylated proteome data in prokaryotes. Here, we present the Nε‐lysine‐acetylated proteome of gram‐positive thermophilic Geobacillus kaustophilus. Affinity enrichment using acetyl‐lysine‐specific antibodies followed by LC‐MS/MS analysis revealed 253 acetylated peptides representing 114 proteins. These acetylated proteins include not only common orthologs from mesophilic Bacillus counterparts, but also unique G. kaustophilus proteins, indicating that lysine acetylation is pronounced in thermophilic bacteria. These data complement current knowledge of the bacterial acetylproteome and provide an expanded platform for better understanding of the function of acetylation in cellular metabolism.
Advances in smart materials: Stimuli‐responsive hydrogel thin films
Authors: White Evan M. , Yatvin Jeremy , Grubbs Joe B. , Bilbrey Jenna A. , Locklin Jason
Published: May 2013

This review highlights recent developments in the field of stimuli‐responsive hydrogels, focusing primarily on thin films, with a thickness range between 100 nm to 10 μm. The theory and dynamics of hydrogel swelling is reviewed, followed by specific applications. Gels are classified based on the active stimulus—mechanical, chemical, pH, heat, and light—and fabrication methods, design constraints, and novel stimuli‐responses are discussed. Often, these materials display large physiochemical reactions to a relatively small stimulus. Noteworthy materials larger than 10 μm, but with response times on the order of seconds to minutes are also discussed. Hydrogels have the potential to advance the fields of medicine and polymer science as useful substrates for “smart” devices. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 1084–1099
Diagnosis and management of pancreatic exocrine insufficiency
Authors: Kumar Mayur , Wilkinson Mark
Published: May 2013

Managing pancreatic exocrine insufficiency effectively is challenging for both specialist and primary‐care physicians. This review summarises current methods employed to diagnose and treat PEI effectively and prevent complications.
How to manage withdrawal of glucocorticoid therapy
Authors: Iliopoulou Amalia , Abbas Afroze , Murray Robert
Published: May 2013

Our series on stopping drugs provides practical advice on why, when and how to withdraw drug therapy. Here the authors discuss the issues arising from discontinuing glucocorticoid therapy.
Investigation of ZnO:Al window layer of Cu2ZnSnS4 thin film solar cells prepared by non‐vacuum processing
Authors: Aizawa Takumi , Tanaka Kunihiko , Tagami Kota , Uchiki Hisao
Published: May 2013

Cu2ZnSnS4 (CZTS) thin film solar cells have been fabricated using sol‐gel sulfurizing method under non‐vacuum processing. The solar cells structure is Al/ZnO:Al/CdS/ CZTS/Mo/Soda Lime Glass(SLG) substrate. In our previous reports, the surface of CZTS got rougher as the particle diameter increased. In addition, there were many spots where CZTS layer was not coated enough by ZnO:Al window layer. In this report, in order to improve conversion efficiency of the CZTS solar cells, we focus on the ZnO:Al layer and the effect of an increase in the number of ZnO:Al coating repetition and the dependence on drying time and temperature for ZnO:Al were investigated. Optimized conversion efficiency of 3.61% was achieved with 15 coating repetition of ZnO:Al layer coated at 350 °C and dried for 3 min. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Cu(In,Ga)Se2 thin film solar cells prepared by selenization with van Doorn apparatus
Authors: Nakamura S. , Isihara T. , Takakura S. , Oka Y. , Kawamoto K. , Tanaka N. , Yamaguchi T. , Kunitsugu S.
Published: May 2013

Cu(In,Ga)Se2 (CIGS) thin films were prepared by selenization of metal precursors using van Doorn apparatus. The apparatus provides advantages such as superior Se pressure controllability and simplicity. XRD measurements revealed that the selenized films had a chalcopyrite structure. EDX measurements revealed that the Ga ratios decreased with increasing selenization temperature, while Se ratio increased. SEM measurements revealed that the films had relatively large grains and roughness. Voc= 495 V, Isc= 2.9 mA/cm2 and F.F.=0.24 were obtained. EQE spectrum indicated a small diffusion length of minority carriers for longer wavelength region. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Comparative study of Auger‐free luminescence of Rb2ZnCl4 crystals between experiment and calculation
Authors: Kitaura Mamoru , Watanabe Shinta , Ogasarawa Kazuyoshi , Ohnishi Akimasa , Sasaki Minoru
Published: May 2013

In this paper, we report a new type Auger‐free luminescence (AFL) of Rb2ZnCl4 crystals. Until now AFL has been reported in alkali and alkali‐earth halides. This luminescence originates from electon transitions from the valence band of halogen p orbitals to the top of outermost core levels of alkali or alkali‐earth p orbitals (p‐p transitions). On the other hand, the AFL of Rb2ZnCl4 is expected to be of p‐d type, in which the electronic transitions from Cl 3p orbitals are terminated by outermost Zn 3d core levels. The electronic states concerning are apparently different from those of alkali and alkali‐earth halides. The finding of such a peculiar AFL is achieved by comparison between results of spectroscopy experiment and cluster calculation. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Thermo‐optical constants of sesquioxide laser ceramics Yb3+:Ln2O3 (Ln=Y,Lu,Sc)
Authors: Snetkov I. L. , Silin D. E. , Palashov O. V. , Khazanov E. A. , Yagi H. , Yanagitani T. , Yoneda H. , Shirakawa A. , Ueda K. , Kaminskii A. A.
Published: May 2013

Parasitic thermal effects (thermal depolarization and thermal lens) of three Konoshima Chemical Co. laser‐ceramics samples Yb3+:Lu2O3(CYb≈1.8%), Yb3+:Y2O3(CYb≈1.8%), and Yb3+:Sc2O3(CYb≈2.5%) were measured in experiment at different pump power. The obtained results were used to calculate a number of thermo‐optical constants, which showed that sesquioxide ceramics are significantly superior to the widely used yttrium aluminum garnet Yb3+: Y3Al5O12(CYb≈10%). (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An oblate‐spheroid geopotential approximation for global meteorology
Authors: Bénard P.
Published: May 2013

The spherical geopotential approximation used in most meteorological global models assumes a spherical shape for the Earth and its geopotential field. Consequently, the deviation of the geoid surface from a sphere, and the observed meridional variations of the apparent gravity are not represented. These two errors are small but their effect on medium or long‐term forecasts is debated because they are systematic and might have cumulative effects. Various formulations with spheroidal iso‐geopotential surfaces have been proposed recently, but none of them combines the advantages of an accurate description for the geopotential field and of horizontal/vertical orthogonal coordinate surfaces. This article proposes a spheroidal coordinate system which meets these two requirements. The transformation and metric factors are defined analytically. The coordinate system is defined as an approximation of orthogonal horizontal/vertical coordinates in which the vertical lines are not exactly orthogonal to true horizontal surfaces. The consequences of this deviation from orthogonality are quantified and upper bounds for the resulting errors are obtained mathematically, i.e. independently of any arbitrary numerical process. The precision of the coordinate can be made as large as desired by raising the truncation of the Taylor series used to approach its exact value, and it is shown that, in practice, truncation values in the range 5 to 8 are appropriate for global numerical weather prediction.
B‐preconditioned minimization algorithms for variational data assimilation with the dual formulation
Authors: Gürol S. , Weaver A. T. , Moore A. M. , Piacentini A. , Arango H. G. , Gratton S.
Published: May 2013

Variational data assimilation problems in meteorology and oceanography require the solution of a regularized nonlinear least‐squares problem. Practical solution algorithms are based on the incremental (truncated Gauss–Newton) approach, which involves the iterative solution of a sequence of linear least‐squares (quadratic minimization) sub‐problems. Each sub‐problem can be solved using a primal approach, where the minimization is performed in a space spanned by vectors of the size of the model control vector, or a dual approach, where the minimization is performed in a space spanned by vectors of the size of the observation vector. The dual formulation can be advantageous for two reasons. First, the dimension of the minimization problem with the dual formulation does not increase when additional control variables are considered, such as those accounting for model error in a weak‐constraint formulation. Second, whenever the dimension of observation space is significantly smaller than that of the model control space, the dual formulation can reduce both memory usage and computational cost.

In this article, a new dual‐based algorithm called RestrictedB‐preconditioned Lanczos (RBLanczos) is introduced, whereBdenotes the background‐error covariance matrix. RBLanczos is the Lanczos formulation of the RestrictedB‐preconditioned Conjugate Gradient (RBCG) method. RBLanczos generates mathematically equivalent iterates to those of RBCG and the correspondingB‐preconditioned Conjugate Gradient and Lanczos algorithms used in the primal approach. All these algorithms can be implemented without the need for a square‐root factorization ofB. RBCG and RBLanczos, as well as the corresponding primal algorithms, are implemented in two operational ocean data assimilation systems and numerical results are presented. Practical diagnostic formulae for monitoring the convergence properties of the minimization are also presented.
Molecular dynamics simulations of the Hras‐GTP complex and the Hras‐GDP complex
Authors: Miyakawa Takeshi , Morikawa Ryota , Takasu Masako , Sugimori Kimikazu , Mizukami Taku , Kawaguchi Kazutomo , Saito Hiroaki , Nagao Hidemi
Published: May 2013

We study the structures of the Hras‐GTP complex and the Hras‐GDP complex in water to investigate the mechanism of GTP hydrolysis of the Hras‐GTP complex. We performed molecular dynamics simulations of these complexes to investigate the structures of these complexes using the potential parameters of AMBER ff03 and our potential parameters around Mg2+. Our simulations show that the averaged structure differences between the Hras‐GTP complex and Hras‐GDP complex are found in the switch I and II regions. In particular, in the switch II region, the α2‐helix of Hras‐GDP is shorter than the α2‐helix of Hras‐GTP. The averaged number of water molecules in the first hydration sphere in Hras‐GDP complex is larger than that in Hras‐GTP complex. The occurrence ratio of the duration time of waters in the first hydration sphere of PA has long tail both in Hras‐GTP and in Hras‐GDP. In Hras‐GDP complex, β‐phosphate is hard to be hydrolyzed, while the number of waters in the first hydration sphere is larger than those in Hras‐GTP. This suggests that there is a special direction for the hydrolysis. © 2013 Wiley Periodicals, Inc.
Influence of collision energy and reagent vibrational excitation on the dynamics of the reaction H + LiH
Authors: Li Dan , Wang Yuliang , Wang Jun , Zhao Yingtao
Published: May 2013

We present a detailed quasiclassical trajectory (QCT) study of the dynamics corresponding to the reaction H + LiH
proceeding via depletion and H‐exchange paths on a new potential energy surface of the electronic ground state. The effects of collision energy and reagent initial vibrational excitation on the reaction probability and cross sections are studied over a wide range of collision energies. The QCT‐calculated reaction probability and cross sections are in good agreement with previous time‐dependent wave packet results. More importantly, we found that the vibrational excitation of LiH molecule inhibits the LiH depletion reaction, whereas it promotes the H‐exchange reaction. In addition, the differential cross sections calculated for the depletion reaction at different collision energies and excitation states indicate a strong forward scattering of the product molecule H2. © 2013 Wiley Periodicals, Inc.
Congested molecules. Where is the steric repulsion? An analysis of the electron density by the method of interacting quantum atoms
Authors: Dillen Jan
Published: May 2013

The computed electron density of several congested saturated hydrocarbons and halogenated derivatives has been analyzed by the method of interacting quantum atoms (IQA). For all the molecules studied, the calculations show the existence of a bond path between the congested atoms and which, according to the Quantum Theory of Atoms in Molecules, indicates that there is a stabilizing interaction between these atoms. The bond path is found to exist up to interatomic distances well‐beyond the sum of the van der Waals radii. The IQA results indicate that steric hindrance is not a repulsive force between the congested atoms but that is the result of an increase in the intra‐atomic or self‐energy of the congested atoms. This increase in self‐energy is caused by the deformation of the atomic basin of the congested atoms. © 2013 Wiley Periodicals, Inc.
A theoretical study of the dihydrogen molecule confined inside carbon nanotubes
Authors: Gtari Wiem Felah , Tangour Bahoueddine
Published: May 2013

The aim of this work is to better understand the interaction between the confined dihydrogen molecule and armchair (2,2), (3,3) (4,4), (5,5), and (6,6) single‐walled carbon nanotubes (SWNT) using Restricted Hartree–Fock (RHF) and Density Functional Theory (DFT) methods using B3LYP and CAM‐B3LYP functionals. Depending on the calculation method and its orientation inside the nanotube, H2 binds differently. We found that HH bond length increases when H2 is trapped in CNT (2,2) and decreases for CNT (3,3) and (4,4). The characteristics of confined H2 in (5,5) and (6,6) nanotubes are similar to H2 in a free state. © 2013 Wiley Periodicals, Inc.
Mathematical modeling of folate metabolism
Authors: Panetta John C. , Paugh Steven W. , Evans William E.
Published: May 2013

Folate metabolism is a complex biological process that is influenced by many variables including transporters, cofactors, and enzymes. Mathematical models provide a useful tool to evaluate this complex system and to elucidate hypotheses that would be otherwise untenable to test in vitro or in vivo. Forty years of model development and refinement along with enhancements in technology have led to systematic improvement in our biological understanding of these models. However, increased complexity does not always lead to increased understanding, and a balanced approach to modeling the system is often advantageous. This approach should address questions about sensitivity of the model to variation and incorporate genomic data. The folate model is a useful platform for investigating the effects of antifolates on the folate pathway. The utility of the model is demonstrated through interrogation of drug resistance, drug‐drug interactions, drug selectivity, and drug doses and schedules. Mathematics can be used to create models with the ability to design and improve rationale therapeutic interventions. WIREs Syst Biol Med 2013, 5:603–613. doi: 10.1002/wsbm.1227

This article is categorized under:

Models of Systems Properties and Processes > Mechanistic Models

Biological Mechanisms > Metabolism

Translational, Genomic, and Systems Medicine > Therapeutic Methods
Comparative physiology and fermentation performance of Saaz and Frohberg lager yeast strains and the parental species Saccharomyces eubayanus
Authors: Gibson Brian R. , Storgårds Erna , Krogerus Kristoffer , Vidgren Virve
Published: May 2013

Two distinct genetic groups (Saaz and Frohberg) exist within the hybrid Saccharomyces pastorianus (S. cerevisiae × S. eubayanus) taxon. However, physiological/technological differences that exist between the two groups are not known. Fermentative capability of the parental S. eubayanus has likewise never been studied. Here, 58 lager strains were screened to determine which hybrid group they belonged to, and selected strains were characterized to determine salient characteristics. In 15 °P all‐malt wort fermentations at 22 °C, Frohberg strains showed greater growth and superior fermentation (80% apparent attenuation, 6.5% alcohol by volume in 3–4 days) compared to all other strains and maintained highest viability values (>93%). Fermentation with S. eubayanus was poor at the same temperature (33% apparent attenuation, 2.7% alcohol by volume at 6 days and viability reduced to 75%). Saaz strains and S. eubayanus were the least sensitive to cold (10 °C), though this did not translate to greater fermentation performance. Fermentation with S. eubayanus was poor at 10 °C but equal to or greater than that of the Saaz strains. Performance of Saaz yeast/S. eubayanus was limited by an inability to use wort maltotriose. [14C]‐Maltotriose transport assays also showed negligible activity in these strains (≤0.5 µmol min−1 g−1 dry yeast). Beers from Saaz fermentations were characterized by two‐ to sixfold lower production of the flavour compounds methyl butanol, ethyl acetate and 3‐methylbutyl acetate compared to Frohberg strains. Higher alcohol and ester production by S. eubayanus was similar to that of Frohberg strains. Copyright © 2013 John Wiley & Sons, Ltd.
Structure and Chemical Bonding of ScNiB4
Authors: Eickerling Georg , Scherer Wolfgang , Fickenscher Thomas , Rodewald Ute Ch. , Pöttgen Rainer
Published: May 2013

The ternary polyboride ScNiB4was synthesized from the elements by arc‐melting and subsequent annealing for crystal growth. The structure of ScNiB4was investigated by X‐ray diffraction on powder and a single crystal (high‐resolution data up to 2θ = 140°, Mo‐Kαradiation): YCrB4type,Pbam,a= 578.7(2),b= 1120.7(3),c= 327.2(1) pm,R1 = 0.0477 (1286F2values withI≥ 2(I)),wR2 = 0.1137 (all 2225F2values), and 38 variables. The four crystallographically independent boron sites build up planar layers which consist of almost regular pentagons and heptagons which sandwich the nickel and scandium atoms, respectively. Within the two‐dimensional [B4] networks each boron atom has slightly distorted trigonal planar boron coordination with B–B distances in the range 171–181 pm. A topological analysis of the electron density reveals the differences between the bonding situation of the scandium atoms in the heptagonal prismatic environment on the one hand and the Ni atoms in the pentagonal prismatic environment on the other hand.
New Synthetic Routes to Metal‐Sulfur Clusters Relevant to the Nitrogenase Metallo‐Clusters
Authors: Ohki Yasuhiro , Tatsumi Kazuyuki
Published: May 2013

The nitrogenase metallo‐clusters, namely P‐cluster and FeMo‐cofactor, have been attracting considerable interests because they are indispensable for biological reduction of N2 to ammonia. These clusters contain eight transition metals and several sulfur atoms in the core, and represent the most complex class of the active sites of metallo‐enzymes. The complexity of these metallo‐clusters should be associated with their roles in the nitrogenase reaction, whereas the relationship between their structures and functions still remains unclear. Mutagenesis studies and spectroscopic techniques are useful to provide insights into properties of the P‐cluster and the FeMo‐cofactor. A complementary approach to gain better understanding of these clusters would be the chemistry of their molecular models based on inorganic synthesis. This review summarizes the recent progresses in the synthesis and properties of metal‐sulfur clusters relevant to the P‐cluster or the FeMo‐cofactor of nitrogenase. Although synthesis of reliable models of FeMo‐cofactor is still a matter of substantial challenges, the synthetic analogues of P‐cluster are approaching the stage that enables the comparison of the structures and properties with the native cluster.
Pyridine vs. Bipyridine Coordination in PtCl2 Complexes of 4‐tButyl‐4'‐(4‐pyridinyl)‐2, 2'‐bipyridine
Authors: Rank Matthias , Zabel Manfred , Winter Rainer F.
Published: May 2013

The reaction of the new terpyridine ligand 4‐tbutyl‐4'‐(4‐pyridinyl)‐2, 2'‐bipyridine L with various sources of “PtCl2” selectively yields either trans‐[PtCl2(L)2] (1) with L bonded in a monodentate fashion via its pendant 4‐pyridyl ring or cis‐[PtCl2(L)] (2), where L coordinates in a bidentate fashion through its 2, 2'‐bipyridine subunit. The molecular structures of L and of complex 1 were determined by X‐ray crystallography and exhibit intra‐ and intermolecular hydrogen bonding. We have also converted the dichloro complex 2 into the bis(coumarin thiolate) complex 3. Owing to their free imine coordination sites, complexes 1–3 constitute interesting building blocks for multimetal structures in a “complexes as ligands” approach. The reductive behaviour of L and of complexes 1–3 has been investigated by cyclic and square wave voltammetry.
Enhanced Religiosity Following Illness? Assessing Evidence of Religious Consolation Among Black and White Americans
Authors: Oates Gary L.
Published: May 2013

This study assesses variation among Black and White Americans in the impact of ill-health on public and subjective religiosity. It is the first longitudinal assessment of race-based variation in “religious consolation.” The under-explored consolation thesis anticipates ill-health influencing religiosity rather than the reverse, with religiosity functioning as a coping resource marshaled by the ill. Effects across races of physical ill-health indicators (chronic illnesses and impaired functioning) on religiosity outcomes are the main focus; but across-race variation in psychological distress-induced “consolation” is also assessed. Findings yield only limited evidence of consolation in each race, and restricted variation across races: Change in impaired functioning slightly enhances Whites’ subjective religiosity; but that effect does not significantly eclipse the impact among Blacks. There is no evidence of physical illness-induced consolation among Blacks; and the proposition that Blacks are more inclined toward consolation than Whites is affirmed only for psychological distress. There are no signs in either race that consolation is intensified by aging or higher religiosity, and no significant across-race differentials in effects of these illness-age and illness-religiosity interactions on subsequent religiosity. The multi-population model utilizes Americans’ Changing Lives data.
The Mysterious Organ. Spectrum of Focal Lesions within the Splenic Parenchyma: Cross-Sectional Imaging with Emphasis on Magnetic Resonance Imaging
Authors: Fasih Najla , Gulati Ajay , Ryan John , Ramanathan S. , Prasad Shanbhogue Alampady Krishna , McInnes Matthew , Macdonald David B. , Fraser-Hill Margaret Anne , Walsh Cynthia , Kielar Ania Z. , Bhagat Kanchan
Published: May 2013

Incidental splenic lesions are frequently encountered at imaging performed for unrelated causes. Splenic cysts, hemangiomas, and lymphomatous involvement are the most frequently encountered entities. Computed tomography and sonography are commonly used for initial evaluation with magnetic resonance imaging reserved as a useful problem-solving tool for characterizing atypical and uncommon lesions. The value of magnetic resonance imaging lies in classifying these lesions as either benign or malignant by virtue of their signal-intensity characteristics on T1- and T2-weighted imaging and optimal depiction of internal hemorrhage. Dynamic contrast-enhanced sequences may improve the evaluation of focal splenic lesions and allow characterization of cysts, smaller hemangiomas, and hamartomas. Any atypical or unexplained imaging feature related to an incidental splenic lesion requires additional evaluation and/or follow-up. Occasionally, biopsy or splenectomy may be required for definitive assessment given that some of tumours may demonstrate uncertain biologic behavior.
Morphologic Change in Computed Tomography of Aldosterone-Producing Adenoma after Radiofrequency Ablation
Authors: Lee Ryan K.L. , Liu Shirley Y.W. , Tong Cina S.L. , Lee Paul S.F. , Ng Enders K.W. , Ahuja Anil T.
Published: May 2013

Objective

To evaluate the morphologic changes of aldosterone-producing adenoma (APA) on computed tomography (CT) before and after radiofrequency ablation (RFA) and to assess the factors that are important in determining successful complete ablation of these tumours.

Method

Between August 2004 and August 2011, 24 consecutive patients with APA undergoing CT-guided percutaneous RFA were identified from our prospective database. The pre-RFA and post-RFA CT appearances of these APAs that showed positive biochemical response were reviewed retrospectively for their 3-dimensional size, tumour volume, and CT attenuation in terms of Hounsfield units (HU). A comparison of these parameters before and after RFA was performed.

Results

In this study, there were 23 APAs in these 24 patients that showed biochemical cure of primary aldosteronism after RFA. When comparing post-RFA to pre-RFA CTs, there was no significant change in tumour size (14.5 mm vs 14.6 mm: P = .83) and tumour volume (1.55 cm3 vs 1.59 cm3; P = .41) after RFA. In nonenhanced CT images, there was no significant reduction in HU from pre-RFA to post-RFA measurements (4.4 HU vs 7.9 HU; P = .52). In contrast-enhanced CTs, there was a significant drop in HU after RFA (from 48.3 HU to 14.7 HU; P = .03). None of the included cases showed a focal region of contrast enhancement to suggest residual tumour.

Conclusion

A change in tumour size, tumour volume, and HU in nonenhanced CT were unreliable in defining radiologic treatment success. Only changes in HU in contrast-enhanced CT was useful in confirming a positive treatment response after RFA for APA.
‘Chiral compartmentation’ in metabolism: Enzyme stereo‐specificity yielding evolutionary options
Authors: Kuchel Philip W. , Pagès Guilhem , Naumann Christoph
Published: May 2013

The activities of the two lactate‐producing pathways have been described by numerical integration of simultaneous non‐linear differential equations, based on enzyme models like that introduced by Michaelis and Menten in 1913.
A case–control study of risk factors for ileus and bowel obstruction following benign gynecologic surgery
Authors: Antosh Danielle D. , Grimes Cara L. , Smith Aimee L. , Friedman Sarah , Mcfadden Brook L. , Crisp Catrina C. , Allen Arielle M. , Gutman Robert E. , Rogers Rebecca G. ,   Fellows' Pelvic Research Network
Published: May 2013

Objective

To identify risk factors leading to the development of postoperative ileus and small‐bowel obstruction (SBO) after benign gynecologic surgery.

Methods

In a multicenter case–control study across the United States, data were examined from women with International Classification of Diseases 9 (ICD‐9) and Current Procedural Terminology (CPT) codes who underwent benign gynecologic surgery between January 2005 and June 2010 and subsequently developed an ileus or SBO. Each patient with ileus or SBO was matched to 2 control women who underwent the same benign gynecologic procedure but did not develop ileus or SBO.

Results

During the study period, 144 cases and 288 controls were identified. By conditional multivariate logistic regression, risk factors for ileus or SBO included cystotomy (odds ratio [OR], 8.7; 95% confidence interval [CI], 1.48–51.47), concomitant bowel surgery (OR, 4.3; 95% CI, 1.18–15.78), perioperative transfusion (OR, 2.9; 95% CI, 1.44–5.95), and lysis of adhesions (OR, 1.7; 95% CI, 1.03–2.83).

Conclusion

Lysis of adhesions, concomitant bowel surgery, and perioperative complications such as blood transfusion and cystotomy were found to be risk factors for the development of ileus and/or SBO after benign gynecologic surgery.
Chemostratigraphy of the Vendian–Cambrian carbonate sedimentary cover of the Tuva-Mongolian microcontinent
Authors: Vishnevskaya I.A. , Letnikova E.F.
Published: May 2013

The carbonate sediments from the Vendian–Cambrian shelf of the Tuva-Mongolian microcontinent were dated by Sr and C isotope chemostratigraphy. Analysis of the Sr-isotopic characteristics (0.70725–0.70873) and δ13C variations (+10.5 to –3.5‰), as well as their comparison with the data on the key sections of Siberia, Africa, Central Asia, Australia, South America, and Spitsbergen, showed that the carbonate sedimentary cover of the Tuva-Mongolian microcontinent accumulated at 600–520 Ma and the carbonate sediments of the Muren Formation and the basal beds of the Bokson Group near the Ukha-Gol River are the oldest. Their sedimentation followed the Marinoan global glaciation.
The Shakhtama porphyry Mo ore-magmatic system (eastern Transbaikalia): age, sources, and genetic features
Authors: Berzina A.P. , Berzina A.N. , Gimon V.O. , Krymskii R.Sh. , Larionov A.N. , Nikolaeva I.V. , Serov P.A.
Published: May 2013

Two intrusive complexes are recognized at the Shakhtama deposit: Shakhtama and ore-bearing porphyry. The U–Pb zircon dates (SHRIMP II) are 161.7 ± 1.4 and 161.0 ± 1.7 Ma for the monzonites and granites of the Shakhtama complex and 159.3 ± 0.9 and 155.0 ± 1.7 Ma for the monzonite- and granite-porphyry of the ore-bearing complex. The igneous complexes formed in a complex geodynamic setting in the late Middle Jurassic and early Late Jurassic, respectively. The setting combined the collision of continents during the closure of the Mongol-Okhotsk ocean and the influence of mantle plume on the lithosphere of the Central Asian orogenic belt. The intrusion of the Shakhtama granitoids took place at the end of the collision, and the intrusion of porphyry of the ore-bearing complex, during the change of the geodynamic setting by a postcollisional (rifting) one. The complexes are composed of monzonite–granite series with similar geochemical characteristics of rocks. The performed geological, geochemical, and isotope-geochemical studies suggest that the sources of magmas were juvenile crust and Precambrian metaintrusive bodies. The juvenile mafic crust is considered to be the predominant source of fluid components and metals of the Shakhtama ore-magmatic system. The granitoids of both complexes include calc-alkalic high-K rocks with typical geochemical characteristics and with characteristics of K-adakites. These geochemical features indicate that the parental melts of the former rocks were generated at depths shallower than 55 km, and the melts of the latter, at depths of 55–66 km. K-adakite melts resulted from the melting of crust submerged into the mantle during the lithosphere delamination, which was caused by the crust thickening as a result of the repeated inflow of basic magma into the basement of the crust and tectonic deformations in its upper horizons. The high-Mg monzonitic magma produced under these conditions ascended and was mixed with melts generated in the upper horizons, which accounts for the high Mg contents of the Shakhtama granitoids. The similar compositions and petrogeochemical characteristics of the granitoids of the Shakhtama and porphyry complexes point to the same sources, transport paths, and evolution trend of their parental melts. This indicates that the igneous rocks of both complexes are products of the same long-living magmatic system, which produced Mo mineralization at the final stage. The favorable conditions for the ore production in the magmatic system during the formation of the porphyry complex appeared as early as the preceding stage—during the formation of the Shakhtama complex, which we regard as a preparatory stage in the evolution of the ore-magmatic system.
Influence of natural organic acids on the Mg/Ca ratio in the bottom sediments of highly mineralized lakes
Authors: Gas’kova O.L. , Sklyarova O.A.
Published: May 2013

Thermodynamic modeling of equilibria in the system water–rock–organic acids was used to study the influence of organic acids on Ca and Mg redistribution between a solution and a solid phase in connection with the use of calcites of variable composition CaxMg1–xCO3 as indicators of paleoclimatic environments. In the thermodynamic model, high-molecular humic substances (fulvic + humic acids) were represented by a set of independent metal-binding centers. Therefore, their number was preset based on the given density of proton- or metal-binding sites. The numerical implementation of several geochemical situations involving the dissolution/deposition of calcites with different Mg contents showed that the main effect of fulvic and humic acids is the acidification of solutions and the reduction of carbonate stability. Although humic substances can play an important role in fixing Ca and Mg and removing them from solution, their actual concentrations in natural media (<<1 g/L) do not cause significant changes in the composition of CaxMg1–xCO3 phases. On the other hand, there is quantitative evidence that variations in the Mg/Ca ratio in a solution and a solid phase are significantly influenced by the evaporative concentration of Mg-oversaturated solutions, alkalization/acidification during their evolution, or CO2 content variations owing to changes in climate and lake activity.
Aspects of metabolic changes in first-episode drug-naïve schizophrenic patients
Authors: Uzbekov Marat G. , Misionzhnik Eduard , Gurovich Isaak , Shmukler Alexander , Moskvitina Tatjana
Published: May 2013

Aim

The aim of the study was to investigate the state of parameters characterising different sites of metabolism and the degree of endogenous intoxication in first-episode drug-naïve schizophrenic [first episode of schizophrenia (FES)] patients. It is hypothesised that the FES is the initial step in the development of pathologically disturbed biochemical status that is characteristic of chronic schizophrenia.

Methods

Platelet monoamine oxidase (MAO) and serum semicarbazide-sensitive amine oxidase (SSAO) activities, serum concentrations of middle-mass endotoxic molecules (MMEM) and malondialdehyde and parameters of the serum albumin functional state were measured in 26 FES patients and 15 age-matched healthy controls.

Results

Severity of disorder before the treatment was 75.5 ± 2.2, according to Positive and Negative Syndrome Scale score. FES patients were characterised by significant increase in MAO activity (99%) and MMEM concentration (124%) and significant decrease in SSAO activity (26%) as compared with controls. Changes of all other parameters were insignificant. Regression analysis has showed a significant relationship of three parameters – MAO, SSAO and MMEM, with values of PANNS score. Two methods of extraction of factor analysis revealed that MAO and SSAO belonged to Factor 1, whereas MMEM and albumin functional parameters belonged to Factor 2.

Conclusion

Comparing our earlier data on chronic schizophrenic patients with present data, we hypothesise that FES patients are at the stage that leads to a stable, pathological state of metabolism.
Altered cingulum bundle microstructure in autism spectrum disorder
Authors: Ameis Stephanie H. , Fan Jin , Rockel Conrad , Soorya Latha , Wang A. Ting , Anagnostou Evdokia
Published: May 2013

Objective

Here, we examined the cingulum bundle, a long-range white matter tract mediating dorsal limbic connectivity, using diffusion tensor imaging (DTI) tractography, in children and adolescents with autism spectrum disorder (ASD) versus controls. We hypothesised that cingulum bundle microstructure would be altered in ASD, based on evidence implicating abnormal white matter connectivity in this disorder.

Methods

DTI data were acquired for 19 ASD participants (IQ ⩾ 70; 7–18 years; mean = 12.4 ± 3.1) and 16 age-matched controls (7–18 years; mean = 12.3 ± 3.6) on a 3 T magnetic resonance imaging system. Deterministic tractography was used to isolate the cingulum bundle. Left and right cingulum bundles were examined for differences in several DTI metrics in ASD children/adolescents versus controls, including: fractional anisotropy (FA), mean, axial, and radial diffusivity.

Results

Significant age × group interaction effects were found for all DTI metrics (mean diffusivity: F1,28 = 9.5, p = 0.005, radial diffusivity: F1,28 = 7.8, p = 0.009, axial diffusivity: F1,28 = 5.2, p = 0.03, FA: F1,28 = 4.4, p = 0.04). Interaction effects were driven by increases in cingulum bundle diffusivity (mean, radial, and axial diffusivity), and decreased FA, in younger ASD participants within our sample versus controls.

Conclusion

Our results point to immature microstructural organisation of the cingulum bundle in ASD, particularly during the early years of life, with implications for limbic network synchronisation and complex socio-emotional performance.
Depressive symptomatology and pineal epidermoid cyst: a case report
Authors: Kontoangelos Konstantinos , Economou Marina , Maltezou Maria , Kandaraki Anna , Papadimitriou George N.
Published: May 2013

Introduction

Intracranial epidermoid cysts are congenital cysts. They comprise 0.2–1.8% of primary intracranial tumours and are four to nine times as common as dermoid cysts.

Case report

We here in present the case of a 32-year-old man who reported sudden onset of symptoms of a depressive symptomatology and particularly severe headache, accompanied by fatigue, depressed mood most of the day, marked diminished interest or pleasure in all or almost all activities, insomnia and diminished ability to think or concentrate. Brain magnetic resolution imaging examination revealed a pineal epidermoid cystic lesion, visualised in the posterior part of the third ventricle, with a maximum diameter of ∼2.8 cm and obstructing the aqueduct of Sylvius, causing obstructive hydrocephalus.

Discussion

Pineal cysts may enlarge over time, because of either increased cyst fluid or intracystic haemorrhage, and become symptomatic. Brain radiological investigations in patients with depressive symptomatology may be substantial.
The first publication of The South Polar Times, Volume IV
Authors: Savours Ann
Published: May 2013

Polar bibliophiles, librarians and readers will be familiar with the three handsome facsimile volumes of the first Antarctic newspaper, published in 1907 and 1914 and edited in turn by E. Shackleton, L.C. Bernacchi and A. Cherry-Garrard during the National Antarctic Expedition, 1901–1904 and the British Antarctic Expedition 1910–1913. These expeditions were led by Captain R.F. Scott R.N. in Discovery and Terra Nova respectively. From S.Y. Discovery, beset for two winters in the ice of McMurdo Sound were made the first extensive sledge journeys into the interior of the Antarctic continent, including the great ice sheet or plateau. These were further prolonged, following Shackleton's Nimrod expedition, while the pursuit of science during both Scott expeditions led to the publication in London of two monumental sets of scientific and geographical results, plus new charts and maps.
The early history of Peter I Island
Authors: Bulkeley Rip
Published: May 2013

None of the logbooks or officers’ journals of the 1819–1821 Russian Antarctic expedition, commanded by Junior Captain Faddei Faddeyevich Bellingshausen, have yet been found. The discovery of Peter I Island was recorded in two reports from the commander, on Sheet 13 of a 15-sheet track chart of the expedition which he prepared during the voyage home (Belov 1963: 32), in his subsequent book (Bellinsgauzen 1831), and in narratives penned by four other eye-witnesses.